 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer06_STD_M11_augccpVDZ.in
 Output=21_phenylethanol_conformer06_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-32265.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32267.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer06_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:06:53 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer06_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 2.162345000000     -1.239247000000      0.453644000000
  C                                                 1.655725000000     -0.158939000000     -0.341230000000
  H                                                 1.881072000000     -1.094176000000      1.365099000000
  H                                                 1.854813000000     -0.482019000000     -1.367262000000
  C                                                 2.446699000000      1.114652000000     -0.080136000000
  C                                                 0.150796000000     -0.029950000000     -0.174166000000
  H                                                 2.272946000000      1.486730000000      0.932505000000
  H                                                 2.181966000000      1.904257000000     -0.785239000000
  H                                                 3.509095000000      0.900115000000     -0.189137000000
  C                                                -0.489673000000      1.190819000000      0.026062000000
  C                                                -1.872964000000      1.254695000000      0.167928000000
  C                                                -2.635845000000      0.097346000000      0.110092000000
  C                                                -2.007097000000     -1.127866000000     -0.090783000000
  C                                                -0.628986000000     -1.188612000000     -0.232307000000
  H                                                 0.084690000000      2.105244000000      0.074595000000
  H                                                -2.351327000000      2.213069000000      0.325179000000
  H                                                -3.711408000000      0.146804000000      0.220623000000
  H                                                -2.593574000000     -2.036616000000     -0.139348000000
  H                                                -0.138964000000     -2.142300000000     -0.378921000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:06:54 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.162345   -1.239247    0.453644
      2          6           0        1.655725   -0.158939   -0.341230
      3          1           0        1.881072   -1.094176    1.365099
      4          1           0        1.854813   -0.482019   -1.367262
      5          6           0        2.446699    1.114652   -0.080136
      6          6           0        0.150796   -0.029950   -0.174166
      7          1           0        2.272946    1.486730    0.932505
      8          1           0        2.181966    1.904257   -0.785239
      9          1           0        3.509095    0.900115   -0.189137
     10          6           0       -0.489673    1.190819    0.026062
     11          6           0       -1.872964    1.254695    0.167928
     12          6           0       -2.635845    0.097346    0.110092
     13          6           0       -2.007097   -1.127866   -0.090783
     14          6           0       -0.628986   -1.188612   -0.232307
     15          1           0        0.084690    2.105244    0.074595
     16          1           0       -2.351327    2.213069    0.325179
     17          1           0       -3.711408    0.146804    0.220623
     18          1           0       -2.593574   -2.036616   -0.139348
     19          1           0       -0.138964   -2.142300   -0.378921
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.433720   0.000000
     3  H    0.964837   1.958828   0.000000
     4  H    1.995913   1.093965   2.800218   0.000000
     5  C    2.430354   1.521790   2.699548   2.134568   0.000000
     6  C    2.429583   1.519658   2.548680   2.128736   2.567124
     7  H    2.769926   2.170620   2.646087   3.056098   1.092737
     8  H    3.378881   2.175052   3.702039   2.477921   1.091206
     9  H    2.608404   2.140025   3.007209   2.456608   1.089308
    10  C    3.622326   2.561149   3.554526   3.199430   2.939279
    11  C    4.752378   3.835264   4.587287   4.389682   4.329046
    12  C    4.992708   4.322840   4.837076   4.762798   5.186844
    13  C    4.206311   3.797079   4.151938   4.118357   4.986512
    14  C    2.874825   2.508385   2.976746   2.820754   3.845519
    15  H    3.955496   2.787039   3.889560   3.450539   2.565989
    16  H    5.684032   4.703933   5.471061   5.274417   4.938811
    17  H    6.039570   5.405116   5.841720   5.822337   6.240951
    18  H    4.858621   4.650050   4.813939   4.869568   5.944607
    19  H    2.608581   2.675079   2.867179   2.776418   4.169252
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.833471   0.000000
     8  H    2.870578   1.770099   0.000000
     9  H    3.484741   1.769255   1.767742   0.000000
    10  C    1.393043   2.922544   2.881815   4.015092   0.000000
    11  C    2.421352   4.222202   4.215794   5.405532   1.392013
    12  C    2.803993   5.167493   5.222820   6.204375   2.410145
    13  C    2.422576   5.118789   5.217690   5.877989   2.773541
    14  C    1.397833   4.115270   4.215806   4.635554   2.397468
    15  H    2.150652   2.430439   2.275583   3.639841   1.080935
    16  H    3.397219   4.720203   4.677514   6.027679   2.144813
    17  H    3.886350   6.173708   6.231553   7.271248   3.392256
    18  H    3.399925   6.102938   6.225226   6.772698   3.856176
    19  H    2.141940   4.550495   4.682567   4.754013   3.375898
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.387368   0.000000
    13  C    2.400317   1.391697   0.000000
    14  C    2.770815   2.407988   1.386690   0.000000
    15  H    2.136482   3.381453   3.854338   3.384230   0.000000
    16  H    1.082608   2.145576   3.384282   3.853399   2.451244
    17  H    2.147109   1.082358   2.150915   3.389662   4.274011
    18  H    3.383257   2.148907   1.082654   2.141812   4.936990
    19  H    3.852970   3.389626   2.145232   1.082191   4.277538
                   16         17         18         19
    16  H    0.000000
    17  H    2.475925   0.000000
    18  H    4.281856   2.479204   0.000000
    19  H    4.935539   4.285068   2.468537   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.54D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.162345   -1.239247    0.453644
      2          6           0        1.655725   -0.158939   -0.341230
      3          1           0        1.881072   -1.094176    1.365099
      4          1           0        1.854813   -0.482019   -1.367262
      5          6           0        2.446699    1.114653   -0.080136
      6          6           0        0.150796   -0.029950   -0.174166
      7          1           0        2.272946    1.486730    0.932505
      8          1           0        2.181966    1.904257   -0.785239
      9          1           0        3.509095    0.900116   -0.189137
     10          6           0       -0.489673    1.190819    0.026062
     11          6           0       -1.872964    1.254695    0.167928
     12          6           0       -2.635845    0.097345    0.110092
     13          6           0       -2.007097   -1.127866   -0.090783
     14          6           0       -0.628986   -1.188612   -0.232307
     15          1           0        0.084690    2.105244    0.074595
     16          1           0       -2.351327    2.213068    0.325179
     17          1           0       -3.711408    0.146803    0.220623
     18          1           0       -2.593574   -2.036617   -0.139348
     19          1           0       -0.138963   -2.142300   -0.378921
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4591964           1.1778731           0.9168715
 Leave Link  202 at Thu Aug 12 21:06:54 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.2302688959 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:06:56 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.71D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:06:57 2021, MaxMem=  5368709120 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:06:57 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer06_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:06:58 2021, MaxMem=  5368709120 cpu:               3.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368505071 LenY=  5368405405
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.890911016885    
 DIIS: error= 3.78D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.890911016885     IErMin= 1 ErrMin= 3.78D-03
 ErrMax= 3.78D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-02 BMatP= 1.06D-02
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.78D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.401 Goal=   None    Shift=    0.000
 GapD=    0.401 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=7.92D-02 MaxDP=4.94D+00              OVMax= 1.65D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.05D-02    CP:  1.91D+00
 E= -385.901092693197     Delta-E=       -0.010181676312 Rises=F Damp=F
 DIIS: error= 7.12D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.901092693197     IErMin= 2 ErrMin= 7.12D-04
 ErrMax= 7.12D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.40D-04 BMatP= 1.06D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.12D-03
 Coeff-Com: -0.379D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.376D-01 0.104D+01
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=1.58D-02 MaxDP=1.04D+00 DE=-1.02D-02 OVMax= 5.89D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.53D-03    CP:  2.09D+00  1.20D+00
 E= -385.901364353058     Delta-E=       -0.000271659861 Rises=F Damp=F
 DIIS: error= 4.74D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -385.901364353058     IErMin= 3 ErrMin= 4.74D-04
 ErrMax= 4.74D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-04 BMatP= 3.40D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.74D-03
 Coeff-Com: -0.472D-01 0.498D+00 0.549D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.470D-01 0.496D+00 0.551D+00
 Gap=     0.335 Goal=   None    Shift=    0.000
 RMSDP=1.45D-03 MaxDP=8.74D-02 DE=-2.72D-04 OVMax= 3.00D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.17D-04    CP:  2.11D+00  1.22D+00  1.10D+00
 E= -385.901545770355     Delta-E=       -0.000181417297 Rises=F Damp=F
 DIIS: error= 8.52D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.901545770355     IErMin= 4 ErrMin= 8.52D-05
 ErrMax= 8.52D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.28D-06 BMatP= 2.60D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.153D-02-0.503D-01 0.721D-01 0.980D+00
 Coeff:     -0.153D-02-0.503D-01 0.721D-01 0.980D+00
 Gap=     0.335 Goal=   None    Shift=    0.000
 RMSDP=5.20D-04 MaxDP=3.23D-02 DE=-1.81D-04 OVMax= 9.13D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.43D-04    CP:  2.11D+00  1.22D+00  1.19D+00  1.47D+00
 E= -385.901554160877     Delta-E=       -0.000008390522 Rises=F Damp=F
 DIIS: error= 3.41D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.901554160877     IErMin= 5 ErrMin= 3.41D-05
 ErrMax= 3.41D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.66D-07 BMatP= 6.28D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.295D-02-0.512D-01-0.223D-01 0.294D+00 0.776D+00
 Coeff:      0.295D-02-0.512D-01-0.223D-01 0.294D+00 0.776D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=7.98D-05 MaxDP=2.24D-03 DE=-8.39D-06 OVMax= 2.62D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.70D-05    CP:  2.11D+00  1.22D+00  1.20D+00  1.50D+00  1.27D+00
 E= -385.901555117086     Delta-E=       -0.000000956209 Rises=F Damp=F
 DIIS: error= 9.97D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.901555117086     IErMin= 6 ErrMin= 9.97D-06
 ErrMax= 9.97D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.67D-08 BMatP= 7.66D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.830D-03-0.723D-02-0.133D-01-0.186D-01 0.194D+00 0.844D+00
 Coeff:      0.830D-03-0.723D-02-0.133D-01-0.186D-01 0.194D+00 0.844D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=2.54D-05 MaxDP=1.28D-03 DE=-9.56D-07 OVMax= 1.22D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.08D-05    CP:  2.11D+00  1.22D+00  1.20D+00  1.51D+00  1.33D+00
                    CP:  9.28D-01
 E= -385.901555223370     Delta-E=       -0.000000106284 Rises=F Damp=F
 DIIS: error= 3.27D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.901555223370     IErMin= 7 ErrMin= 3.27D-06
 ErrMax= 3.27D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-08 BMatP= 6.67D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.174D-04 0.313D-02-0.229D-02-0.389D-01-0.257D-01 0.283D+00
 Coeff-Com:  0.780D+00
 Coeff:     -0.174D-04 0.313D-02-0.229D-02-0.389D-01-0.257D-01 0.283D+00
 Coeff:      0.780D+00
 Gap=     0.335 Goal=   None    Shift=    0.000
 RMSDP=9.90D-06 MaxDP=5.93D-04 DE=-1.06D-07 OVMax= 4.88D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.60D-06    CP:  2.11D+00  1.22D+00  1.20D+00  1.52D+00  1.34D+00
                    CP:  9.73D-01  1.14D+00
 E= -385.901555239910     Delta-E=       -0.000000016540 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.901555239910     IErMin= 8 ErrMin= 1.31D-06
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-09 BMatP= 1.08D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D-03 0.197D-02 0.106D-02-0.107D-01-0.352D-01-0.215D-01
 Coeff-Com:  0.253D+00 0.811D+00
 Coeff:     -0.118D-03 0.197D-02 0.106D-02-0.107D-01-0.352D-01-0.215D-01
 Coeff:      0.253D+00 0.811D+00
 Gap=     0.335 Goal=   None    Shift=    0.000
 RMSDP=2.73D-06 MaxDP=1.18D-04 DE=-1.65D-08 OVMax= 1.85D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.48D-06    CP:  2.11D+00  1.22D+00  1.20D+00  1.52D+00  1.35D+00
                    CP:  9.72D-01  1.20D+00  1.06D+00
 E= -385.901555242073     Delta-E=       -0.000000002163 Rises=F Damp=F
 DIIS: error= 3.08D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.901555242073     IErMin= 9 ErrMin= 3.08D-07
 ErrMax= 3.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.55D-11 BMatP= 1.22D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.981D-05-0.439D-04 0.301D-03 0.200D-02-0.170D-02-0.268D-01
 Coeff-Com: -0.355D-01 0.995D-01 0.962D+00
 Coeff:     -0.981D-05-0.439D-04 0.301D-03 0.200D-02-0.170D-02-0.268D-01
 Coeff:     -0.355D-01 0.995D-01 0.962D+00
 Gap=     0.335 Goal=   None    Shift=    0.000
 RMSDP=2.31D-06 MaxDP=1.49D-04 DE=-2.16D-09 OVMax= 6.96D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.75D-07    CP:  2.11D+00  1.22D+00  1.20D+00  1.52D+00  1.35D+00
                    CP:  9.65D-01  1.22D+00  1.13D+00  1.18D+00
 E= -385.901555242226     Delta-E=       -0.000000000153 Rises=F Damp=F
 DIIS: error= 1.58D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.901555242226     IErMin=10 ErrMin= 1.58D-07
 ErrMax= 1.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-11 BMatP= 6.55D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.106D-04-0.248D-03-0.254D-04 0.202D-02 0.374D-02-0.657D-02
 Coeff-Com: -0.423D-01-0.648D-01 0.323D+00 0.785D+00
 Coeff:      0.106D-04-0.248D-03-0.254D-04 0.202D-02 0.374D-02-0.657D-02
 Coeff:     -0.423D-01-0.648D-01 0.323D+00 0.785D+00
 Gap=     0.335 Goal=   None    Shift=    0.000
 RMSDP=6.11D-07 MaxDP=3.83D-05 DE=-1.53D-10 OVMax= 3.77D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.28D-07    CP:  2.11D+00  1.22D+00  1.20D+00  1.52D+00  1.35D+00
                    CP:  9.63D-01  1.22D+00  1.14D+00  1.25D+00  1.21D+00
 E= -385.901555242301     Delta-E=       -0.000000000075 Rises=F Damp=F
 DIIS: error= 1.04D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -385.901555242301     IErMin=11 ErrMin= 1.04D-07
 ErrMax= 1.04D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-12 BMatP= 1.39D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.171D-05-0.501D-05-0.456D-04-0.181D-03 0.302D-03 0.338D-02
 Coeff-Com:  0.382D-02-0.164D-01-0.115D+00 0.216D-01 0.110D+01
 Coeff:      0.171D-05-0.501D-05-0.456D-04-0.181D-03 0.302D-03 0.338D-02
 Coeff:      0.382D-02-0.164D-01-0.115D+00 0.216D-01 0.110D+01
 Gap=     0.335 Goal=   None    Shift=    0.000
 RMSDP=1.64D-07 MaxDP=5.43D-06 DE=-7.47D-11 OVMax= 2.42D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  8.57D-08    CP:  2.11D+00  1.22D+00  1.20D+00  1.52D+00  1.35D+00
                    CP:  9.61D-01  1.22D+00  1.13D+00  1.29D+00  1.45D+00
                    CP:  1.47D+00
 E= -385.901555242317     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 3.42D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -385.901555242317     IErMin=12 ErrMin= 3.42D-08
 ErrMax= 3.42D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.60D-13 BMatP= 1.61D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.157D-05 0.481D-04-0.110D-04-0.472D-03-0.645D-03 0.252D-02
 Coeff-Com:  0.970D-02 0.715D-02-0.103D+00-0.152D+00 0.362D+00 0.875D+00
 Coeff:     -0.157D-05 0.481D-04-0.110D-04-0.472D-03-0.645D-03 0.252D-02
 Coeff:      0.970D-02 0.715D-02-0.103D+00-0.152D+00 0.362D+00 0.875D+00
 Gap=     0.335 Goal=   None    Shift=    0.000
 RMSDP=9.37D-08 MaxDP=4.39D-06 DE=-1.57D-11 OVMax= 1.22D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.21D-08    CP:  2.11D+00  1.22D+00  1.20D+00  1.52D+00  1.35D+00
                    CP:  9.61D-01  1.22D+00  1.13D+00  1.30D+00  1.53D+00
                    CP:  1.73D+00  1.38D+00
 E= -385.901555242292     Delta-E=        0.000000000025 Rises=F Damp=F
 DIIS: error= 2.14D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -385.901555242317     IErMin=13 ErrMin= 2.14D-08
 ErrMax= 2.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.03D-14 BMatP= 4.60D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.690D-06 0.121D-04 0.801D-05-0.739D-04-0.202D-03-0.136D-03
 Coeff-Com:  0.133D-02 0.523D-02 0.283D-03-0.394D-01-0.147D+00 0.199D+00
 Coeff-Com:  0.981D+00
 Coeff:     -0.690D-06 0.121D-04 0.801D-05-0.739D-04-0.202D-03-0.136D-03
 Coeff:      0.133D-02 0.523D-02 0.283D-03-0.394D-01-0.147D+00 0.199D+00
 Coeff:      0.981D+00
 Gap=     0.335 Goal=   None    Shift=    0.000
 RMSDP=4.18D-08 MaxDP=2.04D-06 DE= 2.49D-11 OVMax= 5.46D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.07D-08    CP:  2.11D+00  1.22D+00  1.20D+00  1.52D+00  1.35D+00
                    CP:  9.61D-01  1.22D+00  1.13D+00  1.31D+00  1.57D+00
                    CP:  1.82D+00  1.63D+00  1.29D+00
 E= -385.901555242278     Delta-E=        0.000000000014 Rises=F Damp=F
 DIIS: error= 3.84D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -385.901555242317     IErMin=14 ErrMin= 3.84D-09
 ErrMax= 3.84D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.73D-15 BMatP= 7.03D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.453D-07-0.364D-05 0.363D-05 0.442D-04 0.451D-04-0.366D-03
 Coeff-Com: -0.101D-02 0.309D-03 0.141D-01 0.121D-01-0.797D-01-0.829D-01
 Coeff-Com:  0.213D+00 0.924D+00
 Coeff:      0.453D-07-0.364D-05 0.363D-05 0.442D-04 0.451D-04-0.366D-03
 Coeff:     -0.101D-02 0.309D-03 0.141D-01 0.121D-01-0.797D-01-0.829D-01
 Coeff:      0.213D+00 0.924D+00
 Gap=     0.335 Goal=   None    Shift=    0.000
 RMSDP=1.06D-08 MaxDP=3.70D-07 DE= 1.40D-11 OVMax= 1.34D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  3.46D-09    CP:  2.11D+00  1.22D+00  1.20D+00  1.52D+00  1.35D+00
                    CP:  9.61D-01  1.22D+00  1.13D+00  1.31D+00  1.57D+00
                    CP:  1.84D+00  1.68D+00  1.40D+00  1.24D+00
 E= -385.901555242277     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 9.04D-10 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=12 EnMin= -385.901555242317     IErMin=15 ErrMin= 9.04D-10
 ErrMax= 9.04D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.36D-16 BMatP= 7.73D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.880D-07-0.222D-05 0.622D-07 0.190D-04 0.334D-04-0.793D-04
 Coeff-Com: -0.404D-03-0.464D-03 0.355D-02 0.696D-02-0.575D-02-0.419D-01
 Coeff-Com: -0.416D-01 0.231D+00 0.849D+00
 Coeff:      0.880D-07-0.222D-05 0.622D-07 0.190D-04 0.334D-04-0.793D-04
 Coeff:     -0.404D-03-0.464D-03 0.355D-02 0.696D-02-0.575D-02-0.419D-01
 Coeff:     -0.416D-01 0.231D+00 0.849D+00
 Gap=     0.335 Goal=   None    Shift=    0.000
 RMSDP=6.14D-09 MaxDP=3.49D-07 DE= 1.25D-12 OVMax= 2.86D-08

 SCF Done:  E(RM11) =  -385.901555242     A.U. after   15 cycles
            NFock= 15  Conv=0.61D-08     -V/T= 2.0065
 KE= 3.834191182146D+02 PE=-1.747668828051D+03 EE= 5.531178856985D+02
 Leave Link  502 at Thu Aug 12 21:12:33 2021, MaxMem=  5368709120 cpu:            2675.2 elap:             334.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.12331994D+03

 Leave Link  801 at Thu Aug 12 21:12:33 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 3.21D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 1.90D-01 6.81D-02.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 2.91D-02 4.52D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 2.57D-03 1.01D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 1.82D-04 2.50D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 8.48D-06 3.85D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 3.60D-07 1.14D-04.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 9.53D-09 1.28D-05.
     11 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 2.47D-10 2.36D-06.
     11 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 5.35D-12 4.00D-07.
      7 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 1.44D-13 5.17D-08.
      1 vectors produced by pass 11 Test12= 1.45D-13 8.33D-09 XBig12= 7.26D-15 9.51D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.129448D+03
      2  0.144434D+01  0.107806D+03
      3 -0.297372D+01  0.279864D+01  0.712802D+02
 Isotropic polarizability for W=    0.085645      102.84 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.937763D+02 -0.950271D+01  0.104698D+02
      2   0.439191D+02  0.245761D+02 -0.412113D+01
      3   0.498573D+02 -0.150734D+02 -0.634863D+01
      4   0.245274D+02 -0.721648D+02 -0.163752D+02
      5   0.532423D+01 -0.165499D+02  0.641073D+01
      6  -0.519978D+01 -0.313109D+01  0.143315D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.113294D+01 -0.401819D+01 -0.663039D+01
      2   0.124953D+02 -0.668139D+01  0.208876D+01
      3   0.115900D+02  0.402567D+02  0.650582D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.174676D+00  0.990045D+00 -0.294049D+02
      2   0.514553D+01 -0.111755D+02 -0.434465D+02
      3   0.340302D+02  0.116084D+03  0.113501D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.131452D+00 -0.135232D+01 -0.661764D+00
      2  -0.135232D+01  0.102552D+01 -0.150669D+01
      3  -0.661764D+00 -0.150669D+01  0.633096D-01
 OR G Eigenvalues:    -2.0325     0.6159     2.3741  Iso=    -0.3191
 Eigenvectors:
   (1)   0.595539   0.551257   0.584336
   (2)   0.732214  -0.073280  -0.677120
   (3)  -0.330447   0.831111  -0.447280
 w=    0.085645 a.u., Optical Rotation Beta=     -0.3191 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =     -123.89 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 3.04D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.02D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 4.83D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 6.25D-02 3.16D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 1.77D-03 6.45D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 1.73D-05 9.40D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 2.74D-07 8.57D-05.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 3.16D-09 7.33D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 4.16D-11 8.23D-07.
     30 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 4.42D-13 6.47D-08.
     14 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 6.69D-15 8.23D-09.
      2 vectors produced by pass  9 Test12= 2.42D-14 2.78D-09 XBig12= 4.40D-16 3.48D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   256 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 5.39D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 5.39D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.89D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129448D+03  0.144434D+01 -0.297372D+01
      2   0.144434D+01  0.107806D+03  0.279864D+01
      3  -0.297372D+01  0.279864D+01  0.712802D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.113294D+01 -0.401819D+01 -0.663039D+01
      2   0.124953D+02 -0.668139D+01  0.208876D+01
      3   0.115900D+02  0.402567D+02  0.650582D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.937763D+02 -0.950271D+01  0.104698D+02
      2   0.439191D+02  0.245761D+02 -0.412113D+01
      3   0.498573D+02 -0.150734D+02 -0.634863D+01
      4   0.245274D+02 -0.721648D+02 -0.163752D+02
      5   0.532423D+01 -0.165499D+02  0.641073D+01
      6  -0.519978D+01 -0.313109D+01  0.143315D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.390205D+01 -0.257258D+01  0.106678D+01 -0.434554D+01  0.338782D+01
      2  -0.257258D+01  0.200989D+01 -0.902656D+00  0.338782D+01 -0.448533D+01
      3   0.106678D+01 -0.902656D+00  0.139532D+01 -0.665876D+00  0.144048D+01
                 6             7             8             9            10 
      1  -0.665876D+00 -0.264746D+00 -0.653539D+00  0.148650D+01 -0.296968D+01
      2   0.144048D+01 -0.653539D+00  0.258449D+00 -0.124881D+01  0.744935D+00
      3  -0.491210D+00  0.148650D+01 -0.124881D+01 -0.474541D+01  0.849808D+00
                11            12            13            14            15 
      1   0.744935D+00  0.849808D+00  0.138027D+01 -0.455581D+01  0.587316D-01
      2  -0.221510D+01  0.255975D+00 -0.455581D+01 -0.301479D+00 -0.774481D+00
      3   0.255975D+00 -0.977536D+00  0.587316D-01 -0.774481D+00  0.197984D+01
                16            17            18            19            20 
      1   0.267321D+01 -0.597436D-02 -0.318946D+01 -0.737575D+00  0.196713D+00
      2  -0.597436D-02 -0.766685D+00  0.309500D+01  0.196713D+00 -0.213986D+00
      3  -0.318946D+01  0.309500D+01  0.705999D+01  0.286790D+00  0.303857D+00
                21            22            23            24            25 
      1   0.286790D+00  0.480679D+00  0.805391D-01  0.703304D-01  0.175628D+01
      2   0.303857D+00  0.805391D-01 -0.463734D+00  0.570957D+00 -0.421534D+00
      3  -0.135595D+01  0.703304D-01  0.570957D+00  0.361291D+00  0.430966D+00
                26            27            28            29            30 
      1  -0.421534D+00  0.430966D+00  0.194985D+01 -0.494005D+00 -0.190556D+01
      2   0.161154D+01 -0.101009D+01 -0.494005D+00  0.683972D+00  0.381491D+00
      3  -0.101009D+01  0.656403D+01 -0.190556D+01  0.381491D+00  0.147124D+01
                31            32            33            34            35 
      1  -0.173690D+01  0.165795D+01  0.635176D+00 -0.462322D+01  0.715314D+00
      2   0.165795D+01 -0.123455D+01 -0.132576D+01  0.715314D+00 -0.157875D+01
      3   0.635176D+00 -0.132576D+01 -0.182429D+01  0.298700D+01 -0.204461D+01
                36            37            38            39            40 
      1   0.298700D+01 -0.766616D+01  0.223090D+01  0.908367D+00  0.458738D+01
      2  -0.204461D+01  0.223090D+01  0.287705D+01 -0.290094D+00  0.300632D+01
      3  -0.791730D+01  0.908367D+00 -0.290094D+00  0.158730D+01 -0.218857D+00
                41            42            43            44            45 
      1   0.300632D+01 -0.218857D+00  0.719976D+00  0.150075D+00  0.597594D+00
      2  -0.298173D+00  0.166752D+01  0.150075D+00  0.186431D+01 -0.403339D+01
      3   0.166752D+01 -0.401799D+01  0.597594D+00 -0.403339D+01 -0.388441D+01
                46            47            48            49            50 
      1   0.160505D+02 -0.192246D+01 -0.743506D+00 -0.162640D+01 -0.171196D+01
      2  -0.192246D+01  0.265886D+01 -0.354521D-01 -0.171196D+01 -0.157140D+00
      3  -0.743506D+00 -0.354521D-01  0.225841D+01 -0.398558D+00  0.177252D+00
                51            52            53            54            55 
      1  -0.398558D+00 -0.634133D+00 -0.392372D+00  0.378023D+01  0.467585D+00
      2   0.177252D+00 -0.392372D+00 -0.937592D-01 -0.379002D+00  0.137017D+00
      3  -0.491382D+00  0.378023D+01 -0.379002D+00 -0.144264D+01  0.800807D+00
                56            57            58            59            60 
      1   0.137017D+00  0.800807D+00  0.157198D+00  0.133024D+00  0.107659D+00
      2  -0.528875D+00 -0.980540D-01  0.133024D+00  0.187559D+01  0.123612D+01
      3  -0.980540D-01 -0.672345D+00  0.107659D+00  0.123612D+01  0.177561D+01
                61            62            63            64            65 
      1   0.204055D+01  0.707784D+00  0.569545D+00 -0.124172D+00  0.362323D+00
      2   0.707784D+00  0.207217D+01  0.239418D+01  0.362323D+00 -0.818703D+00
      3   0.569545D+00  0.239418D+01  0.631067D+01 -0.714717D+00  0.330000D+00
                66            67            68            69            70 
      1  -0.714717D+00  0.110256D+01  0.242566D+00 -0.527856D-01 -0.160893D+01
      2   0.330000D+00  0.242566D+00  0.518822D+01 -0.256291D+01 -0.481949D+00
      3  -0.614914D+00 -0.527856D-01 -0.256291D+01  0.260786D+01  0.738053D-01
                71            72            73            74            75 
      1  -0.481949D+00  0.738053D-01  0.126690D+02  0.410555D+00 -0.786347D+00
      2  -0.311333D+01  0.271011D+01  0.410555D+00  0.101774D+01  0.359248D-02
      3   0.271011D+01 -0.300483D+01 -0.786347D+00  0.359248D-02  0.108240D+01
                76            77            78            79            80 
      1  -0.193334D+01  0.865891D+00  0.754460D-01 -0.101920D+01 -0.605264D-01
      2   0.865891D+00 -0.388014D+00 -0.283367D+00 -0.605264D-01 -0.445852D+00
      3   0.754460D-01 -0.283367D+00  0.217819D-01  0.135522D+01  0.408099D+00
                81            82            83            84            85 
      1   0.135522D+01 -0.496732D+01 -0.102337D+01  0.238201D-01  0.779515D+01
      2   0.408099D+00 -0.102337D+01  0.319907D+01  0.612603D+00  0.163113D+00
      3  -0.638612D-01  0.238201D-01  0.612603D+00  0.191813D+01 -0.137239D+00
                86            87            88            89            90 
      1   0.163113D+00 -0.137239D+00  0.147304D+01  0.485199D-01  0.168369D+01
      2   0.164756D+01 -0.601824D+00  0.485199D-01 -0.104418D+01  0.337649D+01
      3  -0.601824D+00  0.219393D+01  0.168369D+01  0.337649D+01  0.240486D+00
                91            92            93            94            95 
      1   0.378301D+01  0.515899D-01 -0.328371D+00  0.559334D+01  0.359411D-01
      2   0.515899D-01 -0.255512D+01  0.315540D+00  0.359411D-01  0.118314D+01
      3  -0.328371D+00  0.315540D+00 -0.115897D+01  0.198518D+00 -0.666419D+00
                96            97            98            99           100 
      1   0.198518D+00 -0.738043D-01  0.673759D+00 -0.223685D+01 -0.541380D+01
      2  -0.666419D+00  0.673759D+00 -0.649250D+00  0.386855D+01 -0.287838D-01
      3   0.262017D+01 -0.223685D+01  0.386855D+01  0.173139D+01 -0.531071D+00
               101           102           103           104           105 
      1  -0.287838D-01 -0.531071D+00  0.278595D+00  0.570244D+00  0.567402D+00
      2  -0.337603D+01  0.157652D-01  0.570244D+00 -0.506328D+00 -0.278562D+00
      3   0.157652D-01 -0.327758D+01  0.567402D+00 -0.278562D+00 -0.741717D-02
               106           107           108           109           110 
      1  -0.361155D+00  0.670708D+00 -0.532626D+01  0.231966D+01 -0.223641D+00
      2   0.670708D+00  0.289124D+00  0.700823D-01 -0.223641D+00 -0.290597D+01
      3  -0.532626D+01  0.700823D-01  0.118314D+01 -0.501889D+00 -0.601523D+00
               111           112           113           114           115 
      1  -0.501889D+00 -0.541728D+01  0.606662D+00  0.579663D+00 -0.126993D+01
      2  -0.601523D+00  0.606662D+00 -0.261326D+00  0.720892D+00  0.114351D+00
      3  -0.169818D+01  0.579663D+00  0.720892D+00 -0.262096D+01 -0.283308D+01
               116           117           118           119           120 
      1   0.114351D+00 -0.283308D+01 -0.392388D+01  0.193871D+01  0.296243D+00
      2   0.116262D+01 -0.353210D+01  0.193871D+01  0.314675D+01 -0.136396D+00
      3  -0.353210D+01 -0.360745D+00  0.296243D+00 -0.136396D+00  0.145118D+01
               121           122           123           124           125 
      1  -0.672714D+01  0.616321D+00 -0.171172D+00  0.295666D-03 -0.485811D+00
      2   0.616321D+00 -0.162342D+01  0.554563D+00 -0.485811D+00  0.149381D+00
      3  -0.171172D+00  0.554563D+00 -0.199434D+01  0.930684D+00 -0.352923D+01
               126           127           128           129           130 
      1   0.930684D+00  0.295392D+01  0.231231D+01  0.441422D-01  0.242750D+01
      2  -0.352923D+01  0.231231D+01  0.235368D+01  0.449520D-01  0.283608D+01
      3  -0.163692D+01  0.441422D-01  0.449520D-01  0.142185D+00  0.153647D+00
               131           132           133           134           135 
      1   0.283608D+01  0.153647D+00 -0.113344D+00  0.155157D+00 -0.531216D-01
      2   0.669667D+01  0.389398D+00  0.155157D+00  0.570159D+00  0.119463D+00
      3   0.389398D+00  0.611744D+00 -0.531216D-01  0.119463D+00  0.608898D-01
               136           137           138           139           140 
      1  -0.292370D+01  0.302221D+01  0.542356D+00  0.266379D+01 -0.405291D+01
      2   0.302221D+01 -0.318620D+01 -0.563422D+00 -0.405291D+01  0.868753D+01
      3   0.542356D+00 -0.563422D+00 -0.487720D+00 -0.595787D+00  0.121738D+01
               141           142           143           144           145 
      1  -0.595787D+00  0.647473D+00 -0.792674D+00 -0.200861D+00 -0.133134D+02
      2   0.121738D+01 -0.792674D+00  0.141746D+01  0.227824D+00  0.412726D+00
      3   0.962142D+00 -0.200861D+00  0.227824D+00  0.212538D+00  0.113351D+01
               146           147           148           149           150 
      1   0.412726D+00  0.113351D+01  0.472552D+00 -0.160614D+01 -0.230096D+00
      2  -0.746271D+00 -0.261583D-01 -0.160614D+01  0.120481D+00  0.145028D+00
      3  -0.261583D-01 -0.980881D+00 -0.230096D+00  0.145028D+00  0.618743D-01
               151           152           153           154           155 
      1   0.122359D+01 -0.225697D+00 -0.556828D-01 -0.406714D+01 -0.365153D+01
      2  -0.225697D+00  0.764879D-01  0.161088D-01 -0.365153D+01 -0.373458D+01
      3  -0.556828D-01  0.161088D-01  0.758508D-01 -0.126500D+00 -0.841711D-01
               156           157           158           159           160 
      1  -0.126500D+00 -0.341746D+01 -0.460808D+01 -0.355803D+00 -0.152309D+00
      2  -0.841711D-01 -0.460808D+01 -0.792645D+01 -0.491705D+00 -0.235377D+00
      3  -0.493669D+00 -0.355803D+00 -0.491705D+00 -0.766964D+00 -0.769735D-01
               161           162           163           164           165 
      1  -0.235377D+00 -0.769735D-01  0.201122D+01 -0.190362D+01 -0.314657D+00
      2  -0.649517D+00 -0.194192D+00 -0.190362D+01  0.233382D+01  0.474152D+00
      3  -0.194192D+00 -0.118192D+00 -0.314657D+00  0.474152D+00  0.411578D+00
               166           167           168           169           170 
      1  -0.173495D+01  0.233244D+01  0.379601D+00 -0.413640D+00  0.519784D+00
      2   0.233244D+01 -0.775327D+01 -0.113458D+01  0.519784D+00 -0.113039D+01
      3   0.379601D+00 -0.113458D+01 -0.981690D+00  0.770495D-01 -0.314488D+00
               171 
      1   0.770495D-01
      2  -0.314488D+00
      3  -0.264657D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.132848D+01  0.100699D+01  0.323902D+01 -0.215903D+01  0.624093D+00
      2   0.892361D+00 -0.284971D+01  0.991526D+01 -0.138691D+00  0.328118D+01
      3   0.182224D+01 -0.992527D+01  0.189443D+01 -0.127788D+01  0.997664D+01
                 6             7             8             9            10 
      1  -0.660317D+01  0.183628D+00  0.143203D+01 -0.696136D+01 -0.903159D-01
      2  -0.219976D+01  0.335503D+01 -0.171901D+01 -0.107216D+02  0.182880D+01
      3  -0.259492D+01  0.130120D+01 -0.192017D+01  0.127967D+01 -0.143294D+01
                11            12            13            14            15 
      1   0.566224D+00  0.406734D-01  0.300683D+01  0.160373D+01 -0.547396D+00
      2   0.212307D+00 -0.218154D+01 -0.854306D+00 -0.391649D+01  0.367674D+01
      3   0.290819D+01  0.210804D+00  0.152986D+02  0.102566D+01  0.200523D+01
                16            17            18            19            20 
      1   0.243889D+00  0.388685D+01 -0.189606D+01  0.443570D+00 -0.399236D+00
      2  -0.120430D+02  0.529025D+01  0.110958D+02  0.297970D+01  0.251254D+00
      3   0.484809D+00  0.350981D+01 -0.771359D+01  0.117683D+01  0.104929D+01
                21            22            23            24            25 
      1  -0.217982D+01 -0.248041D+00  0.126363D+01  0.283025D+00  0.218137D+00
      2  -0.363681D+01 -0.108609D+01  0.959477D+00  0.104689D+01 -0.247597D+01
      3  -0.989905D+00  0.106582D+01  0.451754D+00 -0.692973D+00 -0.164567D+00
                26            27            28            29            30 
      1   0.820713D+00  0.996818D+01 -0.839404D-01 -0.144519D+01 -0.392059D-01
      2  -0.235393D+01  0.151687D+02 -0.218949D+01  0.609750D+00  0.309408D+01
      3  -0.246802D+01  0.319493D+01  0.685543D+00 -0.348331D+01 -0.468925D+00
                31            32            33            34            35 
      1  -0.169475D+01  0.118944D+01 -0.535869D+00  0.105886D+00  0.245171D+01
      2   0.321115D+00 -0.946770D+00 -0.322447D+01  0.103758D+01 -0.327675D+01
      3  -0.212059D+01  0.224828D+01  0.256520D+01 -0.290192D+00  0.291952D+01
                36            37            38            39            40 
      1  -0.265930D+00 -0.208898D+01 -0.531411D+00 -0.270096D+01 -0.105735D+01
      2  -0.133075D+02  0.307294D+01  0.271187D+00  0.686756D+01  0.825332D+00
      3   0.428761D+01 -0.184449D+02 -0.961083D+01  0.236189D+01 -0.205769D+01
                41            42            43            44            45 
      1  -0.413680D+01  0.319671D+01  0.809593D+00  0.754744D+01  0.449711D+01
      2   0.536751D+01 -0.109917D+02 -0.121812D+01 -0.115150D+02 -0.101391D+02
      3   0.623656D+01 -0.566533D+01  0.212437D+01 -0.529674D+01  0.147291D+02
                46            47            48            49            50 
      1   0.300377D+00  0.117303D+01  0.137243D+01  0.278892D+01 -0.182554D+01
      2  -0.177323D+01 -0.499597D+00 -0.456993D+00 -0.340584D+00 -0.472730D+00
      3   0.615588D+01  0.516027D+01 -0.110799D+00  0.144293D+02  0.643409D+00
                51            52            53            54            55 
      1   0.236096D+01  0.569827D+00  0.105550D+02  0.116888D+01 -0.796901D+00
      2  -0.557983D+00 -0.138295D+02 -0.934990D+00  0.159872D+00  0.301138D+01
      3  -0.503760D+00 -0.142579D+01 -0.243389D+01  0.485137D+00 -0.618818D+00
                56            57            58            59            60 
      1  -0.182824D+00  0.853466D+00 -0.134314D+00 -0.134165D+01 -0.408735D+01
      2  -0.204411D+00 -0.129776D+01 -0.436518D+00  0.324382D+01  0.519237D+01
      3   0.167886D+01  0.166179D+01  0.219090D+01 -0.523376D+01 -0.359681D+01
                61            62            63            64            65 
      1  -0.592338D+00 -0.761916D+00 -0.920439D+01  0.516637D+00  0.616308D-01
      2  -0.178672D+01  0.626326D+01  0.168447D+02 -0.257487D+01  0.566625D+00
      3   0.168309D+01 -0.552528D+01 -0.752831D+01 -0.323631D+01  0.268603D+01
                66            67            68            69            70 
      1   0.131326D+01  0.151979D+00  0.159118D+01 -0.491217D+01  0.440346D+00
      2  -0.142432D+01  0.777926D+00 -0.627716D+01  0.640921D+01 -0.217904D+01
      3  -0.219112D+01  0.415379D+01 -0.147303D+02  0.764657D+01 -0.218365D+01
                71            72            73            74            75 
      1  -0.138528D+01  0.400311D+01  0.354716D+00 -0.329643D+00 -0.125383D+01
      2   0.623673D+01 -0.710272D+01 -0.511655D+00  0.292917D+00  0.571952D+01
      3   0.853444D+01 -0.814569D+01  0.145253D+02 -0.580936D+01 -0.113057D+01
                76            77            78            79            80 
      1  -0.198240D+00  0.378027D+00 -0.542791D+00 -0.123586D+01  0.486235D+00
      2   0.443623D-01 -0.600087D+00 -0.192557D+00  0.247201D+01  0.108942D+01
      3  -0.304440D+01  0.241838D+01  0.101927D+01 -0.121139D+01  0.144613D+01
                81            82            83            84            85 
      1  -0.196714D+00 -0.137205D+01  0.415395D+00 -0.350701D+01  0.719965D+00
      2   0.195030D+00 -0.235952D+01  0.185074D+00 -0.207397D+01  0.229433D+01
      3  -0.240230D+00 -0.584367D+01 -0.117286D+01  0.116426D+01  0.588326D+01
                86            87            88            89            90 
      1   0.345395D+00 -0.266375D+01 -0.526734D+01  0.264026D+01  0.792706D+00
      2  -0.336460D+00 -0.484803D+00 -0.130533D+02 -0.110315D+00  0.819873D+00
      3   0.408940D+01 -0.651319D+00  0.124998D+01 -0.203741D+00  0.473439D+01
                91            92            93            94            95 
      1   0.200527D+01 -0.784275D+00  0.220559D+01  0.136643D+00  0.215358D+00
      2   0.475894D+00  0.433464D+00  0.508169D+00  0.559084D+00  0.215332D+01
      3   0.327398D+01 -0.106822D+02 -0.132717D+01  0.647359D+01  0.201525D+01
                96            97            98            99           100 
      1  -0.379116D+01  0.507857D+01  0.185387D+01 -0.959310D+00 -0.516708D-01
      2  -0.718785D+01 -0.706893D+01 -0.100205D+02 -0.213257D+01  0.214541D+00
      3  -0.143618D+01  0.327991D+00 -0.985077D+00  0.522850D+01 -0.656100D+00
               101           102           103           104           105 
      1   0.669815D+00  0.779404D+00  0.346065D+00 -0.185900D+01  0.334787D+01
      2  -0.206606D+00  0.930759D+01 -0.209958D+01  0.330127D+00  0.239721D+00
      3  -0.773351D+01  0.104824D+00  0.106329D+02 -0.323009D+01 -0.183225D+01
               106           107           108           109           110 
      1   0.121921D+01  0.111431D+02  0.142047D+01 -0.136745D+01 -0.362760D+00
      2   0.811547D+01 -0.368722D+00 -0.258669D+01  0.699632D+00  0.181385D+01
      3   0.164304D+01 -0.597982D+00 -0.740175D+00  0.108607D+01 -0.130286D+02
               111           112           113           114           115 
      1  -0.321789D+01  0.123230D+01  0.341193D+00 -0.281358D+01 -0.604978D+01
      2   0.205677D+01 -0.432454D+00 -0.189660D+01  0.674184D+01 -0.478717D+01
      3  -0.133328D+01  0.403351D+01  0.197486D+01  0.128171D+01  0.677143D+00
               116           117           118           119           120 
      1   0.317294D+01  0.116809D+01  0.586492D+00 -0.346963D+00  0.263299D+01
      2   0.972347D+01  0.193381D+01 -0.299784D+01  0.101427D+01 -0.178877D+01
      3   0.312994D+01 -0.424436D+01 -0.396714D+00 -0.209681D+01 -0.151206D+01
               121           122           123           124           125 
      1  -0.814973D+00 -0.512027D+00 -0.332416D+01  0.484620D+01  0.210720D+01
      2   0.792195D-01  0.404116D+00  0.167426D+01 -0.130751D+02  0.110970D+01
      3   0.279668D+01 -0.764206D+01  0.215668D+00 -0.286104D+01  0.498428D+00
               126           127           128           129           130 
      1  -0.124883D+01  0.212110D+00  0.297593D+00 -0.135021D+01 -0.170104D+00
      2   0.184873D+01 -0.561010D+00 -0.201177D+00  0.250635D+00 -0.167541D+00
      3  -0.532967D+01  0.914224D+01  0.467546D+01  0.436692D-01  0.847822D+01
               131           132           133           134           135 
      1  -0.314087D+00 -0.326421D+01  0.420952D+00  0.168398D+01 -0.126109D+00
      2  -0.480102D+00  0.939379D+00 -0.183284D+01 -0.465169D+00 -0.993786D-03
      3   0.700644D+01  0.474678D+00 -0.226638D+00  0.299243D+00  0.122007D+00
               136           137           138           139           140 
      1  -0.249251D+00  0.185473D+00  0.196912D+01  0.156353D+00  0.138753D+00
      2  -0.523543D+00  0.766491D+00  0.195420D+01  0.554726D+00 -0.202392D+01
      3   0.848463D+00 -0.306825D+01 -0.433156D+00 -0.187391D+01  0.132252D+02
               141           142           143           144           145 
      1  -0.410163D+01 -0.513568D+00  0.196190D+01 -0.385623D+00 -0.132671D+00
      2  -0.315809D+01 -0.589669D+00  0.413638D+00 -0.489657D+00 -0.171983D+01
      3   0.171697D+01 -0.492869D+00  0.168854D+01  0.984381D-01 -0.348082D+00
               146           147           148           149           150 
      1  -0.341846D+00  0.248099D+00 -0.180105D+00 -0.183997D-01 -0.316867D+00
      2  -0.292526D-01  0.628346D+01  0.876958D+00 -0.294556D+00 -0.379225D+00
      3  -0.521757D+01  0.115346D+00 -0.398912D+01  0.325476D+00  0.377468D+00
               151           152           153           154           155 
      1  -0.108356D+00  0.628704D+00  0.293843D-01  0.252822D+00  0.528405D+00
      2  -0.310338D+01 -0.723561D-02 -0.313414D+00 -0.435139D+00 -0.417754D+00
      3  -0.840760D+00  0.526666D+00  0.175216D+00 -0.136093D+01 -0.460058D+01
               156           157           158           159           160 
      1  -0.212891D+01 -0.987497D-01  0.147440D+00 -0.365244D+01  0.649659D+00
      2   0.233317D+01  0.242332D+00  0.438729D+00  0.308130D+01 -0.809146D+00
      3   0.890555D-03 -0.308860D+01 -0.125041D+02 -0.527689D+00 -0.530493D+00
               161           162           163           164           165 
      1   0.146737D+01 -0.215758D+00  0.232761D+00 -0.180409D+00  0.172379D+01
      2  -0.400231D+00  0.331803D+00  0.981070D+00 -0.610501D+00  0.214401D+00
      3  -0.145787D+01 -0.275540D+00 -0.709829D+01  0.437477D+01  0.536134D+00
               166           167           168           169           170 
      1  -0.293582D+00  0.771102D+00 -0.367668D+01 -0.298452D+00  0.220407D+01
      2  -0.101962D+01  0.106660D+01 -0.625283D+00 -0.186842D+01  0.326104D+00
      3   0.675590D+01 -0.757775D+01 -0.129688D+01  0.735782D+00 -0.166395D+01
               171 
      1  -0.184892D+00
      2  -0.108714D+00
      3  -0.117448D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.178370D+02 -0.291450D+01 -0.665442D+00 -0.448857D+01 -0.194534D+01
      2  -0.735984D+01 -0.280481D+01 -0.279752D+01 -0.193562D+01  0.142863D+02
      3  -0.104772D+02  0.571931D+01  0.346296D+01  0.642420D+01 -0.123410D+02
      4  -0.171495D+02  0.212554D+02 -0.374008D+01  0.264342D+02 -0.267366D+02
      5   0.711437D+01 -0.427084D+01  0.144352D+02 -0.551426D+01  0.733722D+01
      6  -0.308557D+01  0.295495D+01 -0.538912D+01  0.476710D+01 -0.728915D+01
                 6             7             8             9            10 
      1   0.319760D+01  0.358651D+00  0.104536D+00  0.997746D+01  0.111227D+02
      2  -0.289938D+00  0.557078D+00 -0.241846D+01  0.169437D+01 -0.702092D+01
      3  -0.290766D+01 -0.915729D+00  0.231392D+01 -0.116718D+02 -0.410174D+01
      4   0.759954D+01 -0.538807D+01  0.470687D+01 -0.102242D+02  0.385655D+01
      5  -0.455236D+01  0.137677D+02 -0.751205D+01 -0.147454D+02  0.348466D+01
      6   0.945163D+01 -0.584268D+01  0.619500D+01  0.616225D+01 -0.220076D+01
                11            12            13            14            15 
      1  -0.237905D+01  0.223765D+00 -0.854389D+01 -0.854256D+01  0.779508D+00
      2  -0.124834D+01 -0.175360D+01  0.425768D+00 -0.701726D+00  0.207617D+01
      3   0.362739D+01  0.152983D+01  0.811812D+01  0.924429D+01 -0.285568D+01
      4  -0.207156D+02  0.209951D+00 -0.307853D+02 -0.226318D+01 -0.453526D+01
      5   0.428778D+00 -0.114834D+02  0.239908D+01 -0.382487D+01  0.915632D+01
      6  -0.164944D+01  0.108108D+01 -0.192055D+01  0.177220D+01 -0.593777D+01
                16            17            18            19            20 
      1  -0.853635D+01  0.181980D+01  0.432452D+00 -0.121729D+01 -0.181045D+01
      2  -0.651304D+01  0.591109D+01  0.117530D+02 -0.445372D+00  0.118460D+01
      3   0.150494D+02 -0.773089D+01 -0.121854D+02  0.166266D+01  0.625855D+00
      4   0.295946D+01 -0.745428D+01  0.165659D+02  0.392766D+00 -0.191390D+01
      5  -0.170831D+02  0.152480D+02  0.282470D+02  0.149615D+01  0.361747D+00
      6   0.797645D+01 -0.258216D+00 -0.601812D+01 -0.355533D+00 -0.139618D+01
                21            22            23            24            25 
      1   0.567981D+01 -0.303806D-01 -0.264263D+01 -0.262233D-01  0.524684D+01
      2  -0.312527D+00 -0.565691D+00  0.187229D+01 -0.256120D+01 -0.237248D+01
      3  -0.536728D+01  0.596072D+00  0.770334D+00  0.258743D+01 -0.287436D+01
      4  -0.770281D+00  0.719603D+00 -0.809876D+00  0.188227D+01 -0.418679D+01
      5  -0.387836D+01  0.177699D+00  0.146924D+01  0.175768D+01  0.447620D+01
      6   0.301633D+01  0.367895D+00 -0.136577D+01  0.253698D+01 -0.564208D+00
                26            27            28            29            30 
      1   0.204623D+01 -0.134224D+02  0.487177D+01 -0.800701D+00 -0.436455D+01
      2  -0.119987D+01 -0.806453D+01 -0.652096D+01  0.136043D+01  0.509559D+01
      3  -0.846360D+00  0.214870D+02  0.164919D+01 -0.559732D+00 -0.731033D+00
      4   0.546861D+01 -0.184391D+01 -0.320249D+01  0.704132D+01  0.295808D+01
      5  -0.377477D+01  0.232661D+02 -0.105072D+02  0.288522D+01  0.129528D+02
      6   0.430658D+01 -0.131206D+02  0.278708D+01 -0.488309D+00 -0.152181D+01
                31            32            33            34            35 
      1  -0.742649D-01 -0.243577D+01 -0.288294D+01 -0.295309D+01 -0.352055D+01
      2   0.169081D+01 -0.495810D+00 -0.986634D+00  0.973156D+01 -0.232204D+01
      3  -0.161654D+01  0.293158D+01  0.386957D+01 -0.677847D+01  0.584259D+01
      4   0.993160D+01 -0.590310D+01 -0.614927D+01  0.405551D+01 -0.722514D+01
      5   0.401446D+01 -0.555863D+01 -0.798672D+01  0.189380D+02 -0.879642D+01
      6  -0.227375D+01  0.440806D+01  0.894233D+01 -0.483582D+01  0.590826D+01
                36            37            38            39            40 
      1  -0.106878D+02 -0.560367D+02  0.134425D+01  0.690369D+01  0.158459D+02
      2  -0.163743D+02  0.350581D+02  0.528468D+01 -0.462689D+01 -0.330203D+01
      3   0.270621D+02  0.209786D+02 -0.662894D+01 -0.227680D+01 -0.125439D+02
      4  -0.100861D+02  0.378203D+01  0.192654D+02 -0.857484D-02  0.216311D+02
      5  -0.335133D+02  0.785851D+01 -0.130599D+01  0.926232D+01 -0.138185D+01
      6   0.104452D+02  0.293046D+01 -0.122020D+01  0.624192D+01 -0.555273D+00
                41            42            43            44            45 
      1   0.184731D+02 -0.512668D+01  0.789842D+01 -0.377090D+01  0.177270D+02
      2  -0.786284D+01  0.680138D+01 -0.262213D+01  0.660992D+01 -0.125969D+02
      3  -0.106103D+02 -0.167470D+01 -0.527628D+01 -0.283902D+01 -0.513014D+01
      4   0.501569D+01  0.766095D+01  0.223485D+01  0.878507D+01 -0.167896D+02
      5   0.780052D+01 -0.188418D+02  0.333371D+01 -0.193081D+02 -0.195003D+02
      6   0.831779D+01 -0.121567D+02  0.639991D+00 -0.141441D+02 -0.704089D+01
                46            47            48            49            50 
      1  -0.225042D+02 -0.367903D+00 -0.639040D+00  0.398222D+01 -0.735913D+01
      2   0.830378D+01  0.600166D+00 -0.501295D+00  0.291583D+00  0.141415D+02
      3   0.142004D+02 -0.232263D+00  0.114033D+01 -0.427381D+01 -0.678238D+01
      4  -0.824771D+01  0.573381D+01  0.141423D+00 -0.119295D+02  0.315615D+01
      5  -0.261965D+01  0.141886D+00  0.212035D+01 -0.192278D+01  0.774439D+00
      6  -0.770638D-01 -0.617756D+00 -0.143743D+01  0.126797D+01  0.211535D+01
                51            52            53            54            55 
      1  -0.150548D+00  0.420354D+01  0.623760D-01 -0.100330D+02  0.406646D+01
      2   0.261185D+01 -0.138382D+01  0.770695D+00 -0.385281D+01 -0.303500D+01
      3  -0.246130D+01 -0.281972D+01 -0.833071D+00  0.138858D+02 -0.103145D+01
      4   0.111355D+01 -0.108214D+01  0.222561D+01 -0.155084D+01  0.951779D+00
      5  -0.173729D+01  0.442697D+01 -0.176213D+01 -0.344447D+00  0.298476D+01
      6  -0.451318D+01  0.132541D+00  0.455181D+01 -0.131999D+01  0.273258D+01
                56            57            58            59            60 
      1   0.236280D+01  0.477666D+01  0.142021D+01 -0.724766D+01 -0.451886D+01
      2  -0.219890D+01 -0.156979D+01 -0.106809D+00  0.750797D+01  0.445852D+01
      3  -0.163902D+00 -0.320687D+01 -0.131340D+01 -0.260309D+00  0.603409D-01
      4  -0.117200D+01  0.193086D+01  0.301039D+01  0.865027D+01  0.565306D+01
      5   0.589466D+00 -0.179620D+00  0.133193D+01  0.586842D+01  0.925494D+01
      6  -0.516676D+00 -0.178434D+01  0.732411D+00  0.609030D+01  0.109556D+02
                61            62            63            64            65 
      1   0.766420D+01 -0.413155D+01 -0.132461D+02  0.704922D+00  0.497448D+01
      2  -0.403782D+01  0.416598D+01  0.173840D+00  0.298717D+00 -0.442807D+01
      3  -0.362637D+01 -0.344338D-01  0.130723D+02 -0.100364D+01 -0.546410D+00
      4   0.764018D+01  0.103684D+02  0.103731D+02  0.433498D+00 -0.756324D+00
      5   0.670970D+01  0.120003D+02  0.305695D+02 -0.260551D+01  0.862882D-01
      6   0.168607D+01  0.114226D+02  0.196183D+02 -0.297371D+01  0.204370D+01
                66            67            68            69            70 
      1  -0.528940D+01  0.450989D+01 -0.163449D+02  0.890884D+01 -0.614809D+01
      2   0.272913D+01 -0.201564D+01  0.226956D+02 -0.995091D+01  0.268402D+01
      3   0.256027D+01 -0.249425D+01 -0.635069D+01  0.104207D+01  0.346407D+01
      4  -0.124499D+01  0.622655D+01  0.231406D+02 -0.112981D+02 -0.622440D+01
      5  -0.106846D+01 -0.171234D+01 -0.117895D+02  0.124083D+02  0.340121D+01
      6  -0.297994D+01 -0.823450D+00 -0.138454D+02  0.129892D+02  0.627494D+00
                71            72            73            74            75 
      1   0.889484D+01 -0.124128D+02  0.894774D+02  0.859921D+00 -0.537095D+01
      2  -0.940724D+01  0.592361D+01 -0.483047D+02  0.171656D+01  0.359134D+01
      3   0.512398D+00  0.648921D+01 -0.411727D+02 -0.257648D+01  0.177961D+01
      4  -0.142472D+02  0.112763D+02  0.181187D+02  0.107095D+02 -0.102831D+01
      5   0.126873D+02 -0.129322D+02 -0.804130D+01 -0.849234D-01  0.108817D+02
      6   0.137322D+02 -0.133964D+02 -0.191511D+01 -0.260256D+00  0.240740D+01
                76            77            78            79            80 
      1  -0.127012D+02  0.581189D+01  0.116985D+01 -0.624575D+01  0.520741D+00
      2   0.885755D+01 -0.270584D+01 -0.135194D+01  0.421453D+01 -0.108815D+01
      3   0.384368D+01 -0.310604D+01  0.182092D+00  0.203122D+01  0.567404D+00
      4   0.775339D+01 -0.177756D+01 -0.155036D+01 -0.148642D+01 -0.240547D+01
      5   0.880670D+00 -0.180280D+01 -0.768580D+00  0.127281D+02  0.188910D+01
      6  -0.194157D+00 -0.655598D+00  0.171808D+01  0.197019D+01  0.251857D+01
                81            82            83            84            85 
      1   0.641964D+01  0.587628D+01 -0.169950D+02 -0.293157D+01  0.807330D+00
      2  -0.462227D+01 -0.585982D+01  0.119011D+02  0.974884D+00 -0.115076D+02
      3  -0.179736D+01 -0.164638D-01  0.509384D+01  0.195669D+01  0.107002D+02
      4   0.290927D+01 -0.927769D+01 -0.128731D+02  0.990279D+00  0.630255D+01
      5  -0.152004D+01 -0.138063D+01  0.137737D+01 -0.336187D+01  0.521354D+00
      6   0.267866D+00  0.281304D+01  0.108342D+01  0.689201D+01 -0.410020D+01
                86            87            88            89            90 
      1   0.324733D+01  0.184956D+01 -0.468502D+00  0.455211D+01 -0.145139D+02
      2  -0.833827D+01 -0.180860D+01 -0.121568D+01 -0.521615D+01  0.201641D+01
      3   0.509094D+01 -0.409598D-01  0.168418D+01  0.664043D+00  0.124975D+02
      4  -0.143161D+02 -0.139273D+01 -0.106408D+00  0.211280D+01 -0.348091D+01
      5  -0.146166D+01  0.424991D+00  0.263858D+01 -0.371425D+01  0.216645D+01
      6  -0.262055D+01  0.730232D+01  0.393117D+01  0.139549D+02 -0.148392D+01
                91            92            93            94            95 
      1   0.322398D+01  0.215969D+02  0.419351D+00 -0.243251D+02  0.952222D+01
      2  -0.344878D+01 -0.135765D+02 -0.257670D+00  0.244312D+02 -0.153577D+02
      3   0.224797D+00 -0.802036D+01 -0.161681D+00 -0.106190D+00  0.583552D+01
      4   0.147790D+02 -0.538692D+01 -0.483681D+01  0.859413D+01  0.599715D+01
      5   0.280174D+01 -0.512958D+01 -0.105191D+00 -0.124391D+01  0.416164D+01
      6  -0.479735D+01  0.323303D+01 -0.528622D+01  0.319246D+01 -0.665454D+01
                96            97            98            99           100 
      1   0.813019D+00 -0.107223D+01 -0.315885D+01 -0.447445D+01 -0.129923D+02
      2  -0.459137D+01  0.406381D+01 -0.276692D+01 -0.506830D+01  0.649944D+01
      3   0.377835D+01 -0.299158D+01  0.592576D+01  0.954275D+01  0.649291D+01
      4   0.418828D+01 -0.507215D+01  0.744661D+01 -0.153813D+02  0.123632D+01
      5  -0.146669D+02  0.145109D+02 -0.156109D+02 -0.487341D+01  0.848638D+01
      6   0.784222D+01 -0.633392D+01  0.155046D+02  0.274806D+01  0.924460D-01
               101           102           103           104           105 
      1   0.185337D+01  0.636159D+01 -0.248228D+01 -0.209214D+02 -0.351972D+01
      2  -0.115527D+01 -0.332663D+01  0.204313D+01  0.199177D+02  0.601749D+01
      3  -0.698099D+00 -0.303496D+01  0.439145D+00  0.100373D+01 -0.249777D+01
      4   0.234552D+02  0.382885D-01 -0.225135D+02  0.596758D+01  0.318405D+01
      5   0.344594D-01  0.204489D+02 -0.681972D+01  0.283417D+01  0.198367D+00
      6  -0.457404D+00 -0.145875D+01  0.296794D+01  0.238433D+01 -0.718360D+01
               106           107           108           109           110 
      1   0.830428D+01 -0.409605D+01  0.133774D+02  0.283985D+01 -0.233988D+02
      2  -0.280267D+01  0.342442D+01 -0.181244D+02 -0.443881D+01  0.130394D+02
      3  -0.550161D+01  0.671627D+00  0.474698D+01  0.159896D+01  0.103594D+02
      4  -0.720806D+01 -0.107293D+01 -0.622814D+00 -0.191913D+02  0.100526D+01
      5   0.355297D+02  0.514565D-01 -0.510964D+01 -0.537767D+00  0.449407D+01
      6  -0.894811D+00  0.544660D+01 -0.262698D+01  0.327537D+01  0.229982D+01
               111           112           113           114           115 
      1  -0.337563D+01  0.247481D+02  0.689230D+01  0.107139D+01  0.515932D+01
      2  -0.171621D+00 -0.258687D+02 -0.131423D+02 -0.843814D+00 -0.558843D+01
      3   0.354725D+01  0.112062D+01  0.624999D+01 -0.227580D+00  0.429111D+00
      4   0.423937D+01  0.491099D+01 -0.140361D+02 -0.564755D+01  0.182977D+01
      5   0.433811D+01 -0.135251D+01 -0.536383D+01  0.144881D+02  0.184338D+02
      6   0.685084D+01 -0.460200D+01 -0.342060D+01  0.712258D+01  0.740357D+01
               116           117           118           119           120 
      1   0.507437D+01 -0.704602D-01  0.826056D+01  0.141408D+02 -0.124505D+00
      2  -0.617668D+01 -0.729942D+01 -0.673843D+01 -0.958749D+01  0.144901D+01
      3   0.110231D+01  0.736988D+01 -0.152213D+01 -0.455329D+01 -0.132450D+01
      4  -0.443443D+01  0.142354D+02  0.121777D+02 -0.173276D+02 -0.306352D+01
      5   0.151645D+02  0.428920D+01  0.107184D+00 -0.343814D+01 -0.471711D+01
      6   0.139849D+02 -0.124502D+01 -0.297087D+01  0.162891D+01 -0.521490D+01
               121           122           123           124           125 
      1  -0.173072D+01  0.666667D+01  0.342189D+01 -0.149819D+01  0.338154D+00
      2   0.898797D+01 -0.116802D+02 -0.432202D+01  0.275593D+01 -0.421776D+01
      3  -0.725724D+01  0.501354D+01  0.900133D+00 -0.125775D+01  0.387960D+01
      4   0.103503D+02  0.135352D+02  0.123772D+01  0.148104D+01  0.308886D+01
      5   0.137450D+01  0.100414D+01  0.103209D+01 -0.391932D-01  0.531211D+01
      6   0.293163D+01 -0.621403D+01  0.594758D+01 -0.383987D+01  0.139484D+02
               126           127           128           129           130 
      1  -0.162474D+02 -0.348103D+01 -0.630675D+01 -0.834108D-01 -0.775646D+01
      2   0.149269D+01  0.645449D+01  0.937290D+01  0.221161D+00  0.114702D+02
      3   0.147547D+02 -0.297346D+01 -0.306616D+01 -0.137750D+00 -0.371376D+01
      4   0.568001D+01  0.787275D+01  0.779839D+01  0.411803D+00  0.762832D+01
      5   0.463089D+01  0.443282D+00  0.531036D+00  0.805474D+00  0.580794D+00
      6   0.406078D+01 -0.124398D+00 -0.112521D+00  0.144622D+01  0.610344D+00
               131           132           133           134           135 
      1  -0.237984D+02 -0.140775D+01 -0.951441D+00 -0.198676D+01 -0.957137D+00
      2   0.331015D+02  0.129687D+01  0.995582D+00  0.240820D+01  0.152565D+01
      3  -0.930306D+01  0.110877D+00 -0.441406D-01 -0.421441D+00 -0.568508D+00
      4   0.634801D+01  0.214973D+00  0.440085D+00 -0.255672D+00  0.140455D+01
      5   0.873273D+00  0.934681D+00  0.570831D+00  0.771253D+00  0.450281D-01
      6   0.156372D+01  0.492843D+01  0.644963D+00  0.169375D+01  0.692329D+00
               136           137           138           139           140 
      1   0.852976D+01 -0.661039D+01 -0.920773D+00 -0.115520D+01 -0.102984D+02
      2   0.259029D+01 -0.496999D+01 -0.152384D+00 -0.111298D+02  0.328551D+02
      3  -0.111200D+02  0.115804D+02  0.107316D+01  0.122850D+02 -0.225567D+02
      4  -0.230572D+02  0.264061D+02  0.414375D+01  0.279751D+02 -0.486385D+02
      5  -0.347326D+01  0.369134D+01  0.447572D+01  0.352264D+01 -0.559411D+01
      6   0.267946D+01 -0.314130D+01 -0.288364D+01 -0.365815D+01  0.778901D+01
               141           142           143           144           145 
      1  -0.160358D+01 -0.778398D+00 -0.657495D+00 -0.749607D+00  0.101615D+03
      2   0.309739D+01 -0.124620D+01  0.371130D+01  0.203610D+01 -0.584088D+02
      3  -0.149381D+01  0.202460D+01 -0.305380D+01 -0.128649D+01 -0.432065D+02
      4  -0.652808D+01  0.536725D+01 -0.815895D+01 -0.292667D+01 -0.601838D+01
      5  -0.516140D+01  0.184914D+01 -0.198887D+01 -0.168004D+01 -0.101847D+02
      6   0.725061D+01 -0.182174D+01  0.307047D+01  0.201065D+01 -0.110946D+01
               146           147           148           149           150 
      1  -0.281768D+01 -0.729141D+01 -0.289653D+01  0.943434D+01  0.959869D+00
      2   0.134171D+01  0.498833D+01  0.130493D+01 -0.463541D+01 -0.795027D+00
      3   0.147597D+01  0.230307D+01  0.159161D+01 -0.479893D+01 -0.164841D+00
      4   0.844748D+01  0.384336D+00  0.150111D+02 -0.144788D+01 -0.124326D+01
      5   0.197994D+00  0.105511D+02  0.183650D+01 -0.111723D+01 -0.547200D+00
      6  -0.529573D+00 -0.151351D+00 -0.869192D+00 -0.554103D-01  0.149091D+01
               151           152           153           154           155 
      1  -0.909314D+01  0.108204D+01  0.355900D+01  0.157202D+02  0.108818D+02
      2   0.530467D+01 -0.713298D+00 -0.206820D+01 -0.483602D+00  0.337990D+01
      3   0.378848D+01 -0.368746D+00 -0.149080D+01 -0.152366D+02 -0.142617D+02
      4   0.220613D+01 -0.942320D+00 -0.370251D+00  0.290833D+02  0.301856D+02
      5   0.265074D+01 -0.253888D+00 -0.158145D+01  0.193849D+01  0.151773D+01
      6   0.178631D-01  0.508370D+00  0.261600D+00  0.429375D+00  0.185898D+00
               156           157           158           159           160 
      1   0.647356D+00  0.578072D+01 -0.144945D+01  0.382321D-01 -0.575815D+00
      2  -0.197659D+00  0.912099D+01  0.240370D+02  0.488293D+00  0.996181D+00
      3  -0.449697D+00 -0.149017D+02 -0.225875D+02 -0.526525D+00 -0.420366D+00
      4   0.104795D+01  0.326780D+02  0.482459D+02  0.286629D+01  0.158380D+01
      5   0.470955D+01  0.290951D+01  0.386514D+01  0.492014D+01  0.174380D+01
      6   0.282882D+01  0.159062D+01  0.246296D+01  0.584872D+01  0.146899D+01
               161           162           163           164           165 
      1  -0.926698D+00 -0.276605D+00 -0.531782D+01  0.831264D+01  0.207949D+01
      2   0.200606D+01  0.148094D+01  0.656180D+01 -0.101750D+02 -0.139938D+01
      3  -0.107937D+01 -0.120434D+01 -0.124398D+01  0.186235D+01 -0.680110D+00
      4   0.304348D+01  0.275704D+01 -0.509584D+01  0.664763D+01  0.995114D+00
      5   0.172989D+01  0.576973D+00 -0.339336D+00  0.690718D+00  0.109303D+01
      6   0.227241D+01  0.817486D+00  0.187002D+01 -0.304010D+01 -0.265712D+01
               166           167           168           169           170 
      1   0.812733D+01 -0.289327D+02 -0.483920D+01  0.146823D+01 -0.411211D+01
      2  -0.102665D+02  0.382461D+02  0.438499D+01 -0.153861D+01  0.465311D+01
      3   0.213922D+01 -0.931347D+01  0.454209D+00  0.703725D-01 -0.541005D+00
      4   0.551865D+01 -0.268332D+01 -0.229823D+00  0.956384D+00 -0.104988D+01
      5   0.398226D+00  0.524394D+00 -0.313296D+00  0.860811D+00 -0.688269D+00
      6  -0.240538D+01  0.801601D+01  0.674429D+01 -0.921915D+00  0.318866D+01
               171 
      1  -0.192133D+01
      2   0.245440D+01
      3  -0.533068D+00
      4  -0.192501D+01
      5  -0.964646D+00
      6   0.196601D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:00:08 2021, MaxMem=  5368709120 cpu:           22821.5 elap:            2854.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.47399 -10.49419 -10.45126 -10.44595 -10.44535
 Alpha  occ. eigenvalues --  -10.44505 -10.44446 -10.44194 -10.43049  -1.16279
 Alpha  occ. eigenvalues --   -1.00774  -0.92103  -0.88926  -0.86634  -0.77467
 Alpha  occ. eigenvalues --   -0.73435  -0.71355  -0.65489  -0.60643  -0.58636
 Alpha  occ. eigenvalues --   -0.57311  -0.55872  -0.54505  -0.53387  -0.49881
 Alpha  occ. eigenvalues --   -0.49217  -0.48280  -0.47170  -0.44780  -0.42665
 Alpha  occ. eigenvalues --   -0.39815  -0.35567  -0.34673
 Alpha virt. eigenvalues --   -0.01223  -0.00379  -0.00077   0.00352   0.01345
 Alpha virt. eigenvalues --    0.01568   0.02775   0.02933   0.03879   0.04790
 Alpha virt. eigenvalues --    0.05052   0.05453   0.06317   0.07025   0.07983
 Alpha virt. eigenvalues --    0.08933   0.09542   0.09823   0.10178   0.10331
 Alpha virt. eigenvalues --    0.10853   0.11763   0.12210   0.12491   0.12732
 Alpha virt. eigenvalues --    0.12896   0.13293   0.13742   0.14061   0.14442
 Alpha virt. eigenvalues --    0.14670   0.15498   0.15860   0.16278   0.16978
 Alpha virt. eigenvalues --    0.19107   0.20537   0.21367   0.22092   0.22890
 Alpha virt. eigenvalues --    0.23531   0.24128   0.24823   0.26069   0.26768
 Alpha virt. eigenvalues --    0.27116   0.27271   0.27866   0.28603   0.29369
 Alpha virt. eigenvalues --    0.29830   0.30243   0.30793   0.31225   0.31412
 Alpha virt. eigenvalues --    0.31945   0.32775   0.33793   0.34371   0.35051
 Alpha virt. eigenvalues --    0.36426   0.36826   0.37798   0.38368   0.39063
 Alpha virt. eigenvalues --    0.39839   0.40307   0.41069   0.41385   0.42501
 Alpha virt. eigenvalues --    0.43851   0.44915   0.46090   0.46413   0.46451
 Alpha virt. eigenvalues --    0.46989   0.48537   0.49370   0.49664   0.50684
 Alpha virt. eigenvalues --    0.51270   0.51570   0.52586   0.53235   0.53773
 Alpha virt. eigenvalues --    0.54642   0.55537   0.55810   0.56558   0.56933
 Alpha virt. eigenvalues --    0.58023   0.58493   0.58981   0.59460   0.60121
 Alpha virt. eigenvalues --    0.61292   0.61698   0.62235   0.62669   0.63654
 Alpha virt. eigenvalues --    0.64120   0.65045   0.65729   0.66933   0.67519
 Alpha virt. eigenvalues --    0.68610   0.69056   0.69737   0.70334   0.70990
 Alpha virt. eigenvalues --    0.71474   0.71914   0.72672   0.73256   0.74303
 Alpha virt. eigenvalues --    0.75521   0.76101   0.77229   0.77724   0.78728
 Alpha virt. eigenvalues --    0.80473   0.81756   0.82527   0.82937   0.83589
 Alpha virt. eigenvalues --    0.84329   0.84807   0.86098   0.86656   0.87613
 Alpha virt. eigenvalues --    0.88582   0.89846   0.90406   0.91853   0.92527
 Alpha virt. eigenvalues --    0.92955   0.96838   0.97535   0.99092   0.99688
 Alpha virt. eigenvalues --    1.01174   1.03838   1.05064   1.06497   1.08044
 Alpha virt. eigenvalues --    1.09464   1.09889   1.12923   1.13674   1.18179
 Alpha virt. eigenvalues --    1.18427   1.19856   1.23691   1.27661   1.28920
 Alpha virt. eigenvalues --    1.30210   1.33694   1.35422   1.37397   1.38206
 Alpha virt. eigenvalues --    1.40067   1.40398   1.42090   1.44208   1.44968
 Alpha virt. eigenvalues --    1.45491   1.46666   1.46995   1.48214   1.49424
 Alpha virt. eigenvalues --    1.50997   1.52152   1.57016   1.57895   1.58557
 Alpha virt. eigenvalues --    1.59631   1.60132   1.60617   1.63131   1.64197
 Alpha virt. eigenvalues --    1.66846   1.68230   1.68399   1.69010   1.70053
 Alpha virt. eigenvalues --    1.72387   1.74868   1.75723   1.76051   1.77667
 Alpha virt. eigenvalues --    1.78852   1.79265   1.79946   1.81323   1.83776
 Alpha virt. eigenvalues --    1.84432   1.84679   1.86172   1.89055   1.90839
 Alpha virt. eigenvalues --    1.92461   1.93460   1.94589   1.96601   1.98296
 Alpha virt. eigenvalues --    2.00100   2.01645   2.02537   2.03298   2.03673
 Alpha virt. eigenvalues --    2.06486   2.08608   2.10745   2.10869   2.11368
 Alpha virt. eigenvalues --    2.14463   2.15638   2.16429   2.17088   2.18359
 Alpha virt. eigenvalues --    2.20004   2.20411   2.21804   2.23197   2.27991
 Alpha virt. eigenvalues --    2.28761   2.30968   2.33416   2.37636   2.40910
 Alpha virt. eigenvalues --    2.43234   2.48027   2.49111   2.50629   2.54722
 Alpha virt. eigenvalues --    2.56600   2.57509   2.58380   2.59462   2.63688
 Alpha virt. eigenvalues --    2.66442   2.70449   2.72846   2.75330   2.80336
 Alpha virt. eigenvalues --    2.81866   2.84139   2.89289   2.90733   2.93974
 Alpha virt. eigenvalues --    3.03236   3.07892   3.11111   3.14213   3.37485
 Alpha virt. eigenvalues --    3.42273   3.52460   3.55492   3.56387   3.62545
 Alpha virt. eigenvalues --    3.66552   3.71783   4.04265   4.52489
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    7.993367   0.367928   0.314064  -0.092978  -0.063172  -0.038047
     2  C    0.367928  13.694027  -0.301144  -0.915926   0.880120   0.247766
     3  H    0.314064  -0.301144   0.712467   0.035221  -0.083733   0.089968
     4  H   -0.092978  -0.915926   0.035221   1.789829  -0.153410   0.498053
     5  C   -0.063172   0.880120  -0.083733  -0.153410   5.556585  -0.801170
     6  C   -0.038047   0.247766   0.089968   0.498053  -0.801170  26.335236
     7  H    0.024519  -0.148236   0.002297   0.100843   0.327973  -0.092223
     8  H    0.020328   0.417070   0.001656  -0.106282   0.083519  -0.283836
     9  H   -0.041465   0.111004  -0.011109  -0.114686   0.214226   0.236721
    10  C   -0.062871  -3.703012   0.047116   0.057003  -0.248984 -13.378371
    11  C   -0.023433   0.591809   0.018906   0.020080  -0.195990   5.328796
    12  C    0.009452  -0.424514  -0.007495  -0.014246   0.033817  -6.757586
    13  C   -0.057828   0.085637   0.017690   0.086141  -0.032679   4.173544
    14  C    0.012978  -5.497960   0.058003   0.107686  -0.243605 -12.475886
    15  H   -0.002811   0.322274   0.008522   0.035892   0.005103   1.296876
    16  H   -0.000346   0.009469   0.000274  -0.001465   0.015413  -0.280955
    17  H    0.000305  -0.020300   0.000025   0.000492   0.001775   0.029896
    18  H   -0.002093   0.001952  -0.000335   0.001903   0.001465  -0.312262
    19  H   -0.056017   0.103327   0.005304  -0.001632   0.029628   1.014048
               7          8          9         10         11         12
     1  O    0.024519   0.020328  -0.041465  -0.062871  -0.023433   0.009452
     2  C   -0.148236   0.417070   0.111004  -3.703012   0.591809  -0.424514
     3  H    0.002297   0.001656  -0.011109   0.047116   0.018906  -0.007495
     4  H    0.100843  -0.106282  -0.114686   0.057003   0.020080  -0.014246
     5  C    0.327973   0.083519   0.214226  -0.248984  -0.195990   0.033817
     6  C   -0.092223  -0.283836   0.236721 -13.378371   5.328796  -6.757586
     7  H    1.611481  -0.237858  -0.471628   0.082249   0.083199  -0.009309
     8  H   -0.237858   1.604561  -0.315510  -0.072076   0.055837  -0.019647
     9  H   -0.471628  -0.315510   1.626841  -0.057514  -0.047588   0.010239
    10  C    0.082249  -0.072076  -0.057514  32.019113 -11.732221   7.093018
    11  C    0.083199   0.055837  -0.047588 -11.732221  20.651058  -8.002263
    12  C   -0.009309  -0.019647   0.010239   7.093018  -8.002263  15.646680
    13  C    0.009885  -0.001144  -0.008347  -7.945232   7.130362  -7.769981
    14  C   -0.092598  -0.027662   0.018832   4.675227  -7.010694   6.006413
    15  H   -0.067696  -0.065183   0.018286  -3.128560   0.568729  -0.103829
    16  H   -0.000500  -0.002071   0.000731   1.362308  -1.882572   0.681257
    17  H    0.000181  -0.000231   0.000204  -0.123222   0.719434  -1.475869
    18  H    0.001086  -0.000261  -0.000204   0.109910  -0.257877   0.689375
    19  H    0.002321   0.002150   0.003350  -0.039621   0.023911  -0.140592
              13         14         15         16         17         18
     1  O   -0.057828   0.012978  -0.002811  -0.000346   0.000305  -0.002093
     2  C    0.085637  -5.497960   0.322274   0.009469  -0.020300   0.001952
     3  H    0.017690   0.058003   0.008522   0.000274   0.000025  -0.000335
     4  H    0.086141   0.107686   0.035892  -0.001465   0.000492   0.001903
     5  C   -0.032679  -0.243605   0.005103   0.015413   0.001775   0.001465
     6  C    4.173544 -12.475886   1.296876  -0.280955   0.029896  -0.312262
     7  H    0.009885  -0.092598  -0.067696  -0.000500   0.000181   0.001086
     8  H   -0.001144  -0.027662  -0.065183  -0.002071  -0.000231  -0.000261
     9  H   -0.008347   0.018832   0.018286   0.000731   0.000204  -0.000204
    10  C   -7.945232   4.675227  -3.128560   1.362308  -0.123222   0.109910
    11  C    7.130362  -7.010694   0.568729  -1.882572   0.719434  -0.257877
    12  C   -7.769981   6.006413  -0.103829   0.681257  -1.475869   0.689375
    13  C   18.169810  -7.605914   0.072930  -0.282167   0.728608  -1.629197
    14  C   -7.605914  28.778168  -0.003796   0.106136  -0.098572   1.148945
    15  H    0.072930  -0.003796   3.133081  -0.113101  -0.027363   0.016991
    16  H   -0.282167   0.106136  -0.113101   1.985828  -0.063903  -0.030196
    17  H    0.728608  -0.098572  -0.027363  -0.063903   1.919016  -0.075797
    18  H   -1.629197   1.148945   0.016991  -0.030196  -0.075797   1.960912
    19  H    0.562014  -2.102284  -0.041045   0.012370  -0.022296  -0.122077
              19
     1  O   -0.056017
     2  C    0.103327
     3  H    0.005304
     4  H   -0.001632
     5  C    0.029628
     6  C    1.014048
     7  H    0.002321
     8  H    0.002150
     9  H    0.003350
    10  C   -0.039621
    11  C    0.023911
    12  C   -0.140592
    13  C    0.562014
    14  C   -2.102284
    15  H   -0.041045
    16  H    0.012370
    17  H   -0.022296
    18  H   -0.122077
    19  H    2.561938
 Mulliken charges:
               1
     1  O   -0.301882
     2  C    0.178709
     3  H    0.092304
     4  H   -0.332519
     5  C    0.673118
     6  C    1.169431
     7  H   -0.125985
     8  H   -0.053358
     9  H   -0.172382
    10  C    1.045742
    11  C   -0.039484
    12  C    0.555081
    13  C    0.295870
    14  C    0.246584
    15  H   -0.925299
    16  H   -0.516509
    17  H   -0.492382
    18  H   -0.502241
    19  H   -0.794796
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.209578
     2  C   -0.153811
     5  C    0.321393
     6  C    1.169431
    10  C    0.120443
    11  C   -0.555994
    12  C    0.062699
    13  C   -0.206371
    14  C   -0.548212
 Electronic spatial extent (au):  <R**2>=           1279.7946
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.7999    Y=              1.2602    Z=              0.3707  Tot=              1.5380
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -53.6796   YY=            -52.7362   ZZ=            -54.6448
   XY=              4.0223   XZ=             -0.4953   YZ=              0.2805
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.0073   YY=              0.9507   ZZ=             -0.9580
   XY=              4.0223   XZ=             -0.4953   YZ=              0.2805
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.9523  YYY=              0.0971  ZZZ=              6.0454  XYY=             -8.2492
  XXY=              8.4539  XXZ=              1.2857  XZZ=             15.4819  YZZ=             -4.9330
  YYZ=              0.5620  XYZ=             -1.8984
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1160.5706 YYYY=           -422.6393 ZZZZ=            -94.1617 XXXY=             19.0832
 XXXZ=            -11.9579 YYYX=              0.9548 YYYZ=              1.5559 ZZZX=             11.6599
 ZZZY=             -8.1616 XXYY=           -276.8888 XXZZ=           -219.2019 YYZZ=            -90.7614
 XXYZ=              2.9450 YYXZ=             -0.5042 ZZXY=             -8.9970
 N-N= 4.252302688959D+02 E-N=-1.747668828125D+03  KE= 3.834191182146D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:00:09 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.94882136D-01 4.52113215D-01 1.66017669D-01
 Polarizability= 1.20304629D+02 1.44257949D+00 1.00119864D+02
                -3.12062470D+00 2.77414581D+00 6.39036978D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.4898    1.4869        0.7202    0.7222
 2     -1.4898   -1.4869       -1.3982   -1.3993      -10.8441  -10.8210
 3     -0.7202   -0.7222       29.0957   29.0837        1.4030    1.3993
 4      1.3982    1.3993        0.0000    0.0000       -0.7193   -0.7222
 5    -18.2516  -18.2627        0.7193    0.7222        1.4953    1.4869
 6     -1.4030   -1.3993       -1.4953   -1.4869        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -4.4606   -4.4606        2.1665    2.1665
 2      4.1980    4.1980       -0.0000    0.0000        2.1665    2.1665
 3      4.1980    4.1980       -4.4606   -4.4606       -0.0000    0.0000
 4     -4.4606   -4.4606       -4.1980   -4.1980      -32.4630  -32.4630
 5     -2.1665   -2.1665       87.2512   87.2512        4.1980    4.1980
 6    -54.7882  -54.7882        2.1665    2.1665        4.4606    4.4606
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0926    0.0000       -6.2004   -5.9474       -2.9520   -2.8887
 2      5.9502    5.9474        5.4073    5.5973       42.5430   43.2839
 3      3.1659    2.8887     -116.2626 -116.3349       -5.3882   -5.5973
 4     -5.0980   -5.5973        0.0515    0.0000        3.0570    2.8887
 5     73.5859   73.0509       -3.4116   -2.8887       -5.1717   -5.9474
 6      5.4872    5.5973        6.2752    5.9474        0.0765    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2637    0.0000        4.9441    4.9597      -10.0575   -8.4771
 2     -5.0170   -4.9597       42.7192   42.3454       12.7428   15.6287
 3      8.9784    8.4771       10.6932   10.7458      -42.7048  -42.3454
 4    -42.6326  -42.3454        0.4043    0.0000        6.4737    8.4771
 5    -25.9779  -26.3744       -9.8634   -8.4771        4.5817    4.9597
 6     43.1430   42.3454       -4.8080   -4.9597        1.3537    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -6.0229   -5.9382       -9.6124  -10.1959        8.2074    8.4553
 2    -79.0595  -78.5755       -5.0697   -5.5707        6.4725    8.4553
 3    -78.9242  -78.5755       -9.7416  -10.1959       13.0922   14.5909
 4     -4.8518   -4.6252       72.5933   72.6373       22.0008   22.0016
 5      6.3615    6.1356       23.1219   23.0496      -72.8879  -72.6373
 6    -43.2389  -45.0512       -8.5275   -6.1356        4.4745    4.6252
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.0020   -0.0006   -0.0002    0.0003    1.9050    4.5380
 Low frequencies ---   26.6731  145.4104  220.0769
 Diagonal vibrational polarizability:
       51.5011210       9.0039718      35.2628008
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     26.6539               145.4100               220.0768
 Red. masses --      3.6345                 3.5574                 3.4762
 Frc consts  --      0.0015                 0.0443                 0.0992
 IR Inten    --      1.0683                 0.5434                 1.1219
 RamAct Fr= 1--      2.2773                 4.2215                 0.1293
  Dep-P Fr= 1--      0.7492                 0.7341                 0.3651
  Dep-U Fr= 1--      0.8566                 0.8467                 0.5349
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0011
 Beta2  Fr= 1--      0.3251                 0.5957                 0.0115
 AlphaG Fr= 1--      0.0001                 0.0003                 0.0012
 Gamma2 Fr= 1--      0.6741                 0.4181                -0.0976
 Delta2 Fr= 1--      0.5596                 0.2973                -0.0138
 Raman1 Fr= 1--       9.109                 16.886                  0.517
 ROA1   Fr= 1--      82.616                 49.654                 -9.807
 CID1   Fr= 1--       9.069                  2.941                -18.968
 Raman2 Fr= 1--       3.902                  7.149                  0.138
 ROA2   Fr= 1--      11.701                  7.656                 -2.231
 CID2   Fr= 1--       2.999                  1.071                -16.138
 Raman3 Fr= 1--       7.803                 14.297                  0.277
 ROA3   Fr= 1--      82.616                 49.654                 -9.807
 CID3   Fr= 1--      10.588                  3.473                -35.463
 RC180  Fr= 1--       0.713                  0.693                  0.070
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.10   0.23     0.16  -0.02  -0.10    -0.17  -0.04  -0.01
     2   6    -0.00  -0.05   0.01    -0.02  -0.01   0.04    -0.02   0.04   0.00
     3   1    -0.08   0.24   0.18     0.43   0.00  -0.02    -0.14   0.00  -0.00
     4   1    -0.00  -0.25   0.08    -0.20   0.02  -0.01    -0.12  -0.00  -0.00
     5   6     0.01  -0.01  -0.24    -0.01   0.01  -0.10     0.23  -0.10  -0.07
     6   6     0.00  -0.02  -0.01    -0.01  -0.03   0.22    -0.00   0.15   0.05
     7   1     0.06   0.16  -0.29     0.19  -0.00  -0.06     0.48  -0.12  -0.02
     8   1    -0.03  -0.13  -0.35    -0.18   0.01  -0.04     0.23  -0.03   0.01
     9   1     0.00  -0.02  -0.25    -0.02   0.04  -0.33     0.18  -0.27  -0.28
    10   6     0.03  -0.03   0.14    -0.01  -0.02   0.18    -0.09   0.11   0.05
    11   6     0.03  -0.02   0.15    -0.03   0.02  -0.04    -0.12  -0.04  -0.00
    12   6     0.01   0.00   0.00    -0.06   0.05  -0.21    -0.02  -0.10  -0.04
    13   6    -0.02   0.01  -0.15    -0.05   0.02  -0.06     0.10  -0.05  -0.00
    14   6    -0.02   0.00  -0.16    -0.03  -0.02   0.17     0.10   0.09   0.05
    15   1     0.05  -0.05   0.25     0.01  -0.04   0.26    -0.16   0.16   0.07
    16   1     0.05  -0.03   0.27    -0.02   0.03  -0.12    -0.22  -0.09  -0.02
    17   1     0.01   0.01   0.00    -0.08   0.08  -0.45    -0.02  -0.19  -0.09
    18   1    -0.04   0.03  -0.27    -0.07   0.04  -0.15     0.19  -0.11  -0.02
    19   1    -0.04   0.01  -0.27    -0.03  -0.03   0.23     0.20   0.14   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    277.2021               290.0679               343.3586
 Red. masses --      1.1310                 1.0536                 3.7616
 Frc consts  --      0.0512                 0.0522                 0.2613
 IR Inten    --     61.2226                45.2618                19.5794
 RamAct Fr= 1--      0.4198                 0.1767                 3.1561
  Dep-P Fr= 1--      0.6630                 0.6692                 0.1256
  Dep-U Fr= 1--      0.7974                 0.8019                 0.2232
 Alpha2 Fr= 1--      0.0007                 0.0003                 0.0519
 Beta2  Fr= 1--      0.0558                 0.0236                 0.1174
 AlphaG Fr= 1--      0.0036                -0.0041                -0.0229
 Gamma2 Fr= 1--      0.2986                 0.0978                -0.0673
 Delta2 Fr= 1--      0.0770                 0.0918                -0.0146
 Raman1 Fr= 1--       1.679                  0.707                 12.624
 ROA1   Fr= 1--      31.131                 12.323                 -6.930
 CID1   Fr= 1--      18.538                 17.437                 -0.549
 Raman2 Fr= 1--       0.670                  0.283                  1.409
 ROA2   Fr= 1--       6.550                  1.612                 -1.499
 CID2   Fr= 1--       9.783                  5.690                 -1.064
 Raman3 Fr= 1--       1.339                  0.567                  2.817
 ROA3   Fr= 1--      31.131                 12.323                 -6.930
 CID3   Fr= 1--      23.249                 21.746                 -2.460
 RC180  Fr= 1--       0.595                  0.604                 -0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.00   0.02    -0.01  -0.03  -0.03     0.26   0.08   0.01
     2   6     0.00  -0.01   0.01    -0.00  -0.00   0.00     0.05   0.02   0.04
     3   1     0.65   0.42   0.15     0.51   0.27   0.09    -0.25  -0.32  -0.08
     4   1     0.02  -0.03   0.02    -0.01  -0.00   0.01     0.01   0.04   0.03
     5   6     0.02  -0.03   0.03     0.01  -0.01   0.00     0.22  -0.06   0.03
     6   6    -0.01   0.00  -0.03    -0.01   0.02   0.01    -0.03  -0.02   0.02
     7   1     0.25  -0.25   0.15    -0.33   0.26  -0.16     0.24   0.03  -0.00
     8   1    -0.19   0.11   0.27     0.34  -0.16  -0.29     0.47  -0.03  -0.04
     9   1     0.00   0.04  -0.28     0.03  -0.14   0.45     0.18  -0.33   0.13
    10   6    -0.02   0.00  -0.05    -0.02   0.01   0.01    -0.10  -0.03  -0.07
    11   6    -0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.11  -0.01  -0.03
    12   6    -0.01  -0.00   0.04    -0.01  -0.01   0.00    -0.14  -0.00   0.09
    13   6    -0.02   0.01  -0.01     0.00  -0.00  -0.01    -0.13   0.02  -0.01
    14   6    -0.02   0.01  -0.04     0.00   0.01   0.00    -0.11   0.02  -0.08
    15   1    -0.02   0.01  -0.06    -0.02   0.02  -0.00    -0.11  -0.01  -0.12
    16   1    -0.01   0.00   0.01    -0.03  -0.01   0.02    -0.08   0.01  -0.06
    17   1    -0.01  -0.01   0.09    -0.01  -0.02   0.00    -0.13  -0.00   0.20
    18   1    -0.02   0.00   0.00     0.01  -0.01  -0.02    -0.11   0.01  -0.04
    19   1    -0.02   0.00  -0.04     0.02   0.02   0.01    -0.18  -0.00  -0.16
                      7                      8                      9
                      A                      A                      A
 Frequencies --    396.8326               413.9251               473.9878
 Red. masses --      3.0517                 2.9294                 3.6112
 Frc consts  --      0.2831                 0.2957                 0.4780
 IR Inten    --      1.1056                 0.0975                10.5469
 RamAct Fr= 1--      0.5672                 0.0451                 1.3678
  Dep-P Fr= 1--      0.6927                 0.2377                 0.6377
  Dep-U Fr= 1--      0.8184                 0.3841                 0.7788
 Alpha2 Fr= 1--      0.0006                 0.0006                 0.0028
 Beta2  Fr= 1--      0.0774                 0.0029                 0.1775
 AlphaG Fr= 1--      0.0027                 0.0040                 0.0021
 Gamma2 Fr= 1--     -0.5379                 0.2633                 0.3772
 Delta2 Fr= 1--     -0.0895                 0.0437                 0.2087
 Raman1 Fr= 1--       2.269                  0.180                  5.471
 ROA1   Fr= 1--     -54.503                 26.672                 42.890
 CID1   Fr= 1--     -24.023                147.957                  7.839
 Raman2 Fr= 1--       0.928                  0.035                  2.130
 ROA2   Fr= 1--     -12.194                  5.969                  7.383
 CID2   Fr= 1--     -13.135                172.412                  3.466
 Raman3 Fr= 1--       1.857                  0.069                  4.261
 ROA3   Fr= 1--     -54.503                 26.672                 42.890
 CID3   Fr= 1--     -29.353                385.191                 10.066
 RC180  Fr= 1--       0.637                 -0.232                  0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08   0.18  -0.01    -0.01   0.02  -0.00     0.17   0.03   0.06
     2   6    -0.02   0.08  -0.15    -0.01   0.01  -0.01     0.03  -0.15  -0.14
     3   1    -0.07   0.38  -0.04     0.06   0.08   0.01    -0.12   0.01  -0.02
     4   1     0.07   0.07  -0.13    -0.01   0.00  -0.01     0.05  -0.27  -0.09
     5   6     0.12  -0.03   0.06     0.00  -0.01   0.01    -0.13  -0.18   0.02
     6   6    -0.02  -0.08  -0.12    -0.00  -0.00  -0.02     0.01   0.11  -0.14
     7   1     0.08  -0.20   0.12    -0.01  -0.02   0.01    -0.38  -0.42   0.07
     8   1     0.38   0.17   0.18     0.04   0.01   0.01    -0.12  -0.08   0.14
     9   1     0.08  -0.25   0.16     0.00  -0.04   0.04    -0.08  -0.02   0.20
    10   6     0.04  -0.10   0.05     0.03  -0.03   0.21    -0.05   0.10   0.03
    11   6     0.05  -0.03   0.08    -0.01   0.02  -0.19    -0.07   0.00   0.08
    12   6    -0.02   0.03  -0.12     0.00   0.00  -0.02    -0.05  -0.01  -0.10
    13   6    -0.05  -0.02   0.05     0.02  -0.03   0.22     0.05   0.02   0.06
    14   6    -0.04  -0.10   0.10    -0.02   0.01  -0.20     0.05   0.12   0.04
    15   1     0.10  -0.14   0.12     0.06  -0.06   0.47    -0.13   0.15   0.14
    16   1     0.11  -0.02   0.19    -0.03   0.05  -0.42    -0.12  -0.04   0.20
    17   1    -0.03   0.10  -0.26     0.00   0.01  -0.05    -0.06  -0.07  -0.21
    18   1    -0.09   0.00   0.12     0.04  -0.05   0.47     0.14  -0.04   0.16
    19   1    -0.08  -0.14   0.25    -0.04   0.04  -0.41     0.10   0.13   0.15
                     10                     11                     12
                      A                      A                      A
 Frequencies --    499.0162               612.8037               638.1278
 Red. masses --      3.4016                 3.0190                 6.3136
 Frc consts  --      0.4991                 0.6680                 1.5147
 IR Inten    --     11.6171                18.1886                 0.3886
 RamAct Fr= 1--      4.7320                 1.0247                 4.5355
  Dep-P Fr= 1--      0.1619                 0.7410                 0.7499
  Dep-U Fr= 1--      0.2787                 0.8512                 0.8571
 Alpha2 Fr= 1--      0.0710                 0.0002                 0.0000
 Beta2  Fr= 1--      0.2198                 0.1454                 0.6479
 AlphaG Fr= 1--      0.0363                 0.0003                 0.0002
 Gamma2 Fr= 1--     -0.4238                -0.2408                -0.0005
 Delta2 Fr= 1--     -0.1650                 0.0255                 0.0029
 Raman1 Fr= 1--      18.928                  4.099                 18.142
 ROA1   Fr= 1--     -45.961                -22.302                  0.046
 CID1   Fr= 1--      -2.428                 -5.441                  0.003
 Raman2 Fr= 1--       2.637                  1.744                  7.775
 ROA2   Fr= 1--      -8.851                 -5.983                 -0.035
 CID2   Fr= 1--      -3.356                 -3.430                 -0.005
 Raman3 Fr= 1--       5.275                  3.489                 15.550
 ROA3   Fr= 1--     -45.961                -22.302                  0.046
 CID3   Fr= 1--      -8.714                 -6.393                  0.003
 RC180  Fr= 1--      -0.443                  0.702                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03  -0.16   0.02     0.07  -0.02  -0.01    -0.01  -0.01   0.01
     2   6     0.20  -0.00   0.04    -0.14   0.05   0.17     0.02  -0.00  -0.03
     3   1     0.08  -0.10   0.05     0.15  -0.28   0.06    -0.04   0.03  -0.01
     4   1     0.37   0.03   0.07    -0.10   0.11   0.16     0.03  -0.02  -0.02
     5   6     0.09   0.17  -0.02    -0.01  -0.01   0.01     0.00  -0.02  -0.01
     6   6     0.07   0.00  -0.18    -0.14   0.01  -0.11     0.01  -0.14  -0.00
     7   1     0.09   0.30  -0.07     0.27   0.23  -0.04    -0.03  -0.05  -0.00
     8   1    -0.18  -0.01  -0.12     0.05  -0.11  -0.12     0.01  -0.01   0.01
     9   1     0.13   0.43  -0.12    -0.07  -0.26  -0.16     0.01  -0.01   0.02
    10   6    -0.04  -0.07   0.00    -0.03   0.07  -0.08    -0.24  -0.21   0.02
    11   6    -0.05  -0.05   0.08     0.02   0.08   0.11    -0.24   0.24   0.03
    12   6    -0.15   0.02  -0.10     0.12   0.02  -0.14    -0.01   0.14   0.04
    13   6    -0.05   0.05   0.09     0.03  -0.07   0.08     0.26   0.23  -0.01
    14   6    -0.03   0.05   0.01    -0.00  -0.09  -0.09     0.22  -0.21  -0.03
    15   1    -0.10  -0.03   0.18     0.11  -0.02   0.12    -0.11  -0.29  -0.04
    16   1     0.04  -0.03   0.24    -0.04   0.00   0.42    -0.09   0.33  -0.03
    17   1    -0.16   0.03  -0.15     0.12  -0.01  -0.07    -0.03  -0.28  -0.03
    18   1     0.02  -0.01   0.26    -0.04  -0.04   0.39     0.13   0.32  -0.05
    19   1    -0.11  -0.02   0.19     0.11  -0.06   0.13     0.07  -0.29  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.5879               750.8529               792.4071
 Red. masses --      1.7856                 3.0320                 2.0928
 Frc consts  --      0.5342                 1.0071                 0.7742
 IR Inten    --     41.6492                22.1313                 9.8022
 RamAct Fr= 1--      0.0700                12.0599                 5.3550
  Dep-P Fr= 1--      0.5651                 0.0724                 0.2078
  Dep-U Fr= 1--      0.7222                 0.1350                 0.3441
 Alpha2 Fr= 1--      0.0002                 0.2258                 0.0712
 Beta2  Fr= 1--      0.0084                 0.2713                 0.3072
 AlphaG Fr= 1--      0.0014                 0.0431                -0.0092
 Gamma2 Fr= 1--     -0.0406                -0.4292                -0.7899
 Delta2 Fr= 1--      0.0182                -0.1708                -0.0889
 Raman1 Fr= 1--       0.280                 48.240                 21.420
 ROA1   Fr= 1--      -3.316                -46.668                -78.675
 CID1   Fr= 1--     -11.838                 -0.967                 -3.673
 Raman2 Fr= 1--       0.101                  3.256                  3.686
 ROA2   Fr= 1--      -1.120                 -8.935                -18.246
 CID2   Fr= 1--     -11.075                 -2.744                 -4.950
 Raman3 Fr= 1--       0.202                  6.512                  7.372
 ROA3   Fr= 1--      -3.316                -46.668                -78.675
 CID3   Fr= 1--     -16.393                 -7.167                -10.673
 RC180  Fr= 1--       0.444                 -0.730                 -0.312
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00     0.03  -0.07   0.04    -0.01  -0.02   0.02
     2   6    -0.00  -0.00   0.00     0.08  -0.03  -0.08     0.07  -0.04  -0.09
     3   1    -0.00  -0.03  -0.00    -0.02   0.04   0.01    -0.10   0.14  -0.03
     4   1     0.04   0.01   0.01     0.17  -0.10  -0.04    -0.08  -0.11  -0.09
     5   6    -0.00  -0.00  -0.00     0.07   0.08  -0.00     0.05   0.05  -0.02
     6   6    -0.02   0.01  -0.10    -0.11   0.02  -0.09    -0.00  -0.02   0.20
     7   1     0.02   0.02  -0.00    -0.06  -0.02   0.01    -0.19  -0.16   0.02
     8   1    -0.00  -0.01  -0.01     0.01   0.12   0.06     0.02   0.15   0.11
     9   1    -0.00  -0.01  -0.00     0.11   0.25   0.07     0.11   0.26   0.15
    10   6     0.00   0.01   0.08    -0.04   0.13   0.09    -0.03   0.05  -0.06
    11   6    -0.02   0.03  -0.14    -0.05   0.15   0.02    -0.03   0.06   0.01
    12   6     0.02  -0.01   0.07     0.15  -0.02   0.07     0.04   0.01  -0.12
    13   6    -0.02   0.00  -0.14    -0.07  -0.14  -0.02    -0.03  -0.06   0.00
    14   6     0.00  -0.02   0.07    -0.05  -0.13   0.06    -0.03  -0.04  -0.07
    15   1     0.06  -0.05   0.51     0.03   0.10  -0.14     0.00   0.03   0.00
    16   1    -0.00  -0.02   0.22    -0.29   0.10  -0.40    -0.05  -0.02   0.46
    17   1     0.07  -0.07   0.56     0.10   0.03  -0.38     0.09  -0.06   0.48
    18   1     0.00  -0.03   0.20    -0.27   0.01  -0.38    -0.06  -0.06   0.42
    19   1     0.06  -0.05   0.49     0.04  -0.06  -0.10    -0.00  -0.03  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    860.7018               902.9343               932.1247
 Red. masses --      1.2471                 2.4014                 1.3999
 Frc consts  --      0.5443                 1.1535                 0.7166
 IR Inten    --      0.1088                15.6494                 2.4269
 RamAct Fr= 1--      1.1246                 1.6095                 0.5134
  Dep-P Fr= 1--      0.6721                 0.7201                 0.7427
  Dep-U Fr= 1--      0.8039                 0.8373                 0.8524
 Alpha2 Fr= 1--      0.0016                 0.0008                 0.0001
 Beta2  Fr= 1--      0.1507                 0.2246                 0.0729
 AlphaG Fr= 1--      0.0015                -0.0014                 0.0002
 Gamma2 Fr= 1--     -0.0045                 1.3248                 1.1350
 Delta2 Fr= 1--     -0.0576                 1.1857                -0.2149
 Raman1 Fr= 1--       4.498                  6.438                  2.054
 ROA1   Fr= 1--      -2.273                165.126                102.081
 CID1   Fr= 1--      -0.505                 25.649                 49.706
 Raman2 Fr= 1--       1.808                  2.695                  0.875
 ROA2   Fr= 1--       0.354                 22.311                 28.958
 CID2   Fr= 1--       0.196                  8.278                 33.087
 Raman3 Fr= 1--       3.616                  5.390                  1.750
 ROA3   Fr= 1--      -2.273                165.126                102.081
 CID3   Fr= 1--      -0.629                 30.633                 58.316
 RC180  Fr= 1--       0.608                  0.675                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.06   0.15  -0.10     0.01  -0.01   0.01
     2   6    -0.00   0.00  -0.00     0.16  -0.03   0.09    -0.01   0.01  -0.00
     3   1    -0.01  -0.01  -0.00    -0.05   0.09  -0.09     0.03  -0.02   0.02
     4   1    -0.00   0.00   0.00     0.23   0.18   0.03     0.10   0.04   0.01
     5   6    -0.00  -0.00   0.00     0.00  -0.17   0.06    -0.02   0.00   0.01
     6   6     0.00  -0.00   0.00     0.04  -0.00   0.01    -0.01   0.01  -0.07
     7   1     0.00   0.00  -0.00    -0.04   0.20  -0.09     0.09   0.07   0.00
     8   1     0.00   0.00   0.00    -0.47  -0.59  -0.24     0.03  -0.02  -0.03
     9   1    -0.00  -0.00  -0.01     0.06   0.22  -0.13    -0.05  -0.10  -0.07
    10   6     0.01  -0.01   0.07    -0.01   0.03   0.01     0.01  -0.01   0.11
    11   6     0.01  -0.01   0.07    -0.03   0.05   0.01    -0.00   0.00  -0.02
    12   6    -0.00   0.00  -0.01     0.02   0.00  -0.01    -0.01   0.01  -0.10
    13   6    -0.01   0.01  -0.08    -0.05  -0.05   0.00     0.01   0.00   0.02
    14   6    -0.01   0.01  -0.07    -0.01  -0.04  -0.00     0.01  -0.00   0.08
    15   1    -0.05   0.06  -0.50    -0.03   0.05  -0.03    -0.05   0.07  -0.58
    16   1    -0.04   0.05  -0.47    -0.08   0.03   0.01     0.01  -0.02   0.11
    17   1     0.00  -0.00   0.05     0.03   0.01   0.05     0.06  -0.07   0.59
    18   1     0.05  -0.06   0.52    -0.11  -0.01   0.02    -0.00   0.02  -0.14
    19   1     0.05  -0.04   0.45    -0.03  -0.04  -0.03    -0.05   0.05  -0.43
                     19                     20                     21
                      A                      A                      A
 Frequencies --    969.7824               983.3983              1023.4296
 Red. masses --      1.3342                 1.2569                 2.5037
 Frc consts  --      0.7393                 0.7162                 1.5450
 IR Inten    --      0.0462                 0.3964                21.0657
 RamAct Fr= 1--      0.0405                 0.0405                41.8866
  Dep-P Fr= 1--      0.4400                 0.5415                 0.0589
  Dep-U Fr= 1--      0.6111                 0.7026                 0.1113
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.8100
 Beta2  Fr= 1--      0.0041                 0.0047                 0.7767
 AlphaG Fr= 1--     -0.0016                 0.0009                 0.1754
 Gamma2 Fr= 1--     -0.1931                -0.1713                -2.1905
 Delta2 Fr= 1--      0.0737                 0.0970                -0.8317
 Raman1 Fr= 1--       0.162                  0.162                167.546
 ROA1   Fr= 1--     -16.185                -13.340               -236.901
 CID1   Fr= 1--     -99.892                -82.396                 -1.414
 Raman2 Fr= 1--       0.050                  0.057                  9.321
 ROA2   Fr= 1--      -5.225                 -4.887                -45.918
 CID2   Fr= 1--    -105.536                -85.935                 -4.926
 Raman3 Fr= 1--       0.099                  0.114                 18.641
 ROA3   Fr= 1--     -16.185                -13.340               -236.901
 CID3   Fr= 1--    -163.460               -117.280                -12.708
 RC180  Fr= 1--       0.222                  0.405                 -0.777
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.07  -0.05
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.09   0.10
     3   1    -0.01   0.00  -0.00     0.01   0.01   0.00     0.12  -0.26   0.04
     4   1    -0.01   0.00  -0.00     0.03   0.01  -0.00    -0.30  -0.31   0.11
     5   6     0.00  -0.00   0.00    -0.01  -0.00   0.01     0.11   0.02  -0.04
     6   6     0.00  -0.00   0.01     0.00  -0.00  -0.01    -0.06   0.01  -0.05
     7   1    -0.01   0.00  -0.00     0.03   0.03   0.00    -0.29  -0.19  -0.02
     8   1    -0.01  -0.01  -0.00     0.00  -0.01  -0.01    -0.12   0.09   0.14
     9   1     0.00   0.01  -0.01    -0.01  -0.03  -0.02     0.23   0.46   0.22
    10   6     0.01  -0.01   0.08     0.00   0.00   0.01    -0.09  -0.15   0.02
    11   6    -0.01   0.01  -0.11    -0.00   0.00  -0.03     0.02  -0.04  -0.01
    12   6     0.00  -0.00   0.05     0.01  -0.01   0.06     0.16  -0.01  -0.02
    13   6     0.00  -0.01   0.04    -0.01   0.01  -0.10     0.02   0.04  -0.00
    14   6    -0.01   0.01  -0.08     0.01  -0.01   0.08    -0.07   0.13   0.04
    15   1    -0.05   0.05  -0.48    -0.01   0.02  -0.11    -0.08  -0.15  -0.11
    16   1     0.07  -0.07   0.64     0.02  -0.03   0.27     0.03  -0.04  -0.00
    17   1    -0.03   0.04  -0.34    -0.04   0.04  -0.42     0.17  -0.01   0.01
    18   1    -0.02   0.02  -0.18     0.06  -0.07   0.64     0.02   0.05   0.01
    19   1     0.05  -0.04   0.39    -0.07   0.05  -0.53    -0.09   0.15  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.8371              1055.5359              1080.2475
 Red. masses --      2.9917                 2.2297                 2.4730
 Frc consts  --      1.8585                 1.4637                 1.7003
 IR Inten    --     10.5173                17.2428                30.4845
 RamAct Fr= 1--     13.4318                20.8165                 4.3757
  Dep-P Fr= 1--      0.0470                 0.0300                 0.4991
  Dep-U Fr= 1--      0.0898                 0.0583                 0.6659
 Alpha2 Fr= 1--      0.2672                 0.4311                 0.0217
 Beta2  Fr= 1--      0.2010                 0.2023                 0.4856
 AlphaG Fr= 1--     -0.0520                -0.0412                -0.0243
 Gamma2 Fr= 1--      1.0236                 0.5789                -0.1201
 Delta2 Fr= 1--      0.6535                 0.4162                -0.2699
 Raman1 Fr= 1--      53.727                 83.266                 17.503
 ROA1   Fr= 1--     119.175                 68.890                -20.163
 CID1   Fr= 1--       2.218                  0.827                 -1.152
 Raman2 Fr= 1--       2.412                  2.428                  5.827
 ROA2   Fr= 1--      19.338                 10.564                 -0.722
 CID2   Fr= 1--       8.017                  4.351                 -0.124
 Raman3 Fr= 1--       4.824                  4.855                 11.655
 ROA3   Fr= 1--     119.175                 68.890                -20.163
 CID3   Fr= 1--      24.703                 14.188                 -1.730
 RC180  Fr= 1--      -0.820                 -0.883                  0.332
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02  -0.05   0.03     0.02  -0.03   0.02     0.03  -0.07   0.05
     2   6     0.05   0.05  -0.09    -0.00   0.01  -0.06     0.01   0.24  -0.01
     3   1    -0.11   0.23  -0.05    -0.10   0.19  -0.05     0.03  -0.06   0.06
     4   1     0.29   0.25  -0.10     0.04   0.13  -0.08    -0.11   0.18  -0.01
     5   6    -0.09  -0.00   0.04     0.01  -0.01   0.04     0.01  -0.11  -0.06
     6   6     0.06  -0.02   0.05    -0.04  -0.01   0.02     0.01   0.08  -0.01
     7   1     0.29   0.21   0.02     0.09   0.18  -0.01    -0.32  -0.26  -0.06
     8   1     0.12  -0.08  -0.13    -0.07  -0.14  -0.08    -0.20  -0.10   0.03
     9   1    -0.20  -0.42  -0.20    -0.00   0.01  -0.08     0.06   0.13   0.08
    10   6    -0.11  -0.17  -0.03    -0.04   0.07   0.01    -0.10  -0.07   0.00
    11   6    -0.03   0.08   0.01     0.02  -0.18  -0.02     0.05  -0.06  -0.01
    12   6     0.19  -0.02  -0.02     0.13  -0.02  -0.01     0.03   0.08   0.01
    13   6    -0.04  -0.07  -0.00     0.04   0.19   0.02    -0.06  -0.05  -0.00
    14   6    -0.09   0.21   0.01    -0.05  -0.05  -0.01     0.06  -0.06  -0.00
    15   1    -0.04  -0.22   0.07    -0.28   0.21   0.08    -0.33   0.07   0.04
    16   1    -0.03   0.08   0.01    -0.30  -0.36  -0.01     0.23   0.02  -0.02
    17   1     0.19  -0.04  -0.05     0.14  -0.05  -0.02     0.05   0.48   0.05
    18   1     0.00  -0.09  -0.01    -0.24   0.39   0.05    -0.26   0.07   0.04
    19   1    -0.05   0.22   0.11    -0.34  -0.20   0.05     0.29   0.06  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1087.6397              1130.7087              1185.6749
 Red. masses --      1.7013                 1.8254                 1.1184
 Frc consts  --      1.1858                 1.3750                 0.9264
 IR Inten    --     31.8936                 7.0848                 0.0607
 RamAct Fr= 1--      1.4390                 0.9162                 3.9732
  Dep-P Fr= 1--      0.3068                 0.5760                 0.7434
  Dep-U Fr= 1--      0.4696                 0.7310                 0.8528
 Alpha2 Fr= 1--      0.0145                 0.0030                 0.0004
 Beta2  Fr= 1--      0.1126                 0.1116                 0.5647
 AlphaG Fr= 1--     -0.0257                -0.0075                -0.0027
 Gamma2 Fr= 1--      0.1074                 0.3999                -0.1170
 Delta2 Fr= 1--      0.2410                -0.0707                -0.1671
 Raman1 Fr= 1--       5.756                  3.665                 15.893
 ROA1   Fr= 1--      18.020                 36.132                -16.581
 CID1   Fr= 1--       3.131                  9.859                 -1.043
 Raman2 Fr= 1--       1.351                  1.340                  6.777
 ROA2   Fr= 1--       0.650                 10.165                 -1.471
 CID2   Fr= 1--       0.481                  7.588                 -0.217
 Raman3 Fr= 1--       2.703                  2.679                 13.553
 ROA3   Fr= 1--      18.020                 36.132                -16.581
 CID3   Fr= 1--       6.667                 13.487                 -1.223
 RC180  Fr= 1--      -0.061                  0.462                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.05  -0.03   0.03     0.01  -0.04   0.04     0.00   0.00  -0.00
     2   6    -0.10  -0.03  -0.10    -0.01   0.18  -0.00    -0.01  -0.01  -0.00
     3   1    -0.18   0.33  -0.09     0.03  -0.03   0.04    -0.01   0.01  -0.00
     4   1    -0.23   0.13  -0.17    -0.09   0.18  -0.02    -0.04  -0.01  -0.01
     5   6     0.09  -0.00   0.10     0.02  -0.08  -0.04     0.00   0.00   0.01
     6   6    -0.11   0.00   0.01     0.00  -0.02  -0.01     0.01   0.00  -0.00
     7   1     0.06   0.39  -0.05    -0.26  -0.18  -0.05     0.01   0.02   0.00
     8   1    -0.26  -0.31  -0.13    -0.18  -0.09   0.02    -0.00  -0.01  -0.01
     9   1     0.14   0.36  -0.10     0.08   0.18   0.06     0.00   0.01  -0.01
    10   6     0.00  -0.03  -0.01     0.09   0.00  -0.01     0.01  -0.01  -0.00
    11   6     0.04   0.00  -0.00    -0.04   0.05   0.01    -0.04  -0.02   0.00
    12   6    -0.05   0.01   0.01    -0.00  -0.06  -0.01     0.01   0.07   0.01
    13   6     0.03  -0.01  -0.01     0.04   0.03   0.00     0.04  -0.03  -0.01
    14   6     0.02   0.03   0.00    -0.09   0.02   0.01    -0.01  -0.01  -0.00
    15   1     0.13  -0.11  -0.01     0.38  -0.17  -0.06     0.10  -0.07  -0.02
    16   1     0.22   0.09  -0.02    -0.17  -0.01   0.01    -0.42  -0.21   0.02
    17   1    -0.05   0.03   0.01    -0.03  -0.46  -0.05     0.04   0.66   0.07
    18   1     0.18  -0.11  -0.03     0.22  -0.08  -0.04     0.42  -0.27  -0.07
    19   1     0.20   0.13  -0.02    -0.44  -0.15   0.02    -0.21  -0.11   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1209.9564              1224.4277              1266.8272
 Red. masses --      1.1444                 2.1628                 1.4704
 Frc consts  --      0.9872                 1.9105                 1.3904
 IR Inten    --      2.2186                 9.1259                11.3267
 RamAct Fr= 1--      6.2920                15.3472                 6.0300
  Dep-P Fr= 1--      0.4355                 0.0677                 0.1393
  Dep-U Fr= 1--      0.6067                 0.1267                 0.2445
 Alpha2 Fr= 1--      0.0408                 0.2906                 0.0958
 Beta2  Fr= 1--      0.6363                 0.3242                 0.2457
 AlphaG Fr= 1--     -0.0038                -0.0331                 0.1157
 Gamma2 Fr= 1--      0.4517                 0.5876                -0.7470
 Delta2 Fr= 1--      0.1961                 0.0645                -0.1107
 Raman1 Fr= 1--      25.168                 61.389                 24.120
 ROA1   Fr= 1--      49.636                 58.471                -75.253
 CID1   Fr= 1--       1.972                  0.952                 -3.120
 Raman2 Fr= 1--       7.635                  3.890                  2.949
 ROA2   Fr= 1--       9.271                 13.586                -17.042
 CID2   Fr= 1--       1.214                  3.492                 -5.779
 Raman3 Fr= 1--      15.270                  7.781                  5.897
 ROA3   Fr= 1--      49.636                 58.471                -75.253
 CID3   Fr= 1--       3.251                  7.515                -12.760
 RC180  Fr= 1--       0.213                 -0.747                 -0.511
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.02  -0.01   0.01     0.02  -0.03  -0.02
     2   6     0.02   0.01  -0.00    -0.11  -0.03   0.02     0.09  -0.04   0.13
     3   1     0.02  -0.04   0.01    -0.10   0.19  -0.06    -0.34   0.62  -0.23
     4   1     0.09   0.01   0.01    -0.69  -0.02  -0.10    -0.33   0.41  -0.09
     5   6    -0.01  -0.01  -0.01     0.02   0.02   0.04    -0.03   0.01  -0.07
     6   6    -0.04  -0.01   0.01     0.24   0.04  -0.07    -0.06  -0.00  -0.04
     7   1    -0.01  -0.03   0.00     0.02   0.16  -0.01    -0.01  -0.19   0.02
     8   1     0.01   0.00  -0.00    -0.05  -0.04  -0.00     0.10   0.16   0.07
     9   1     0.00   0.02   0.00     0.02   0.07  -0.02    -0.02  -0.08   0.14
    10   6     0.05  -0.03  -0.01     0.06  -0.03  -0.00    -0.01   0.01   0.01
    11   6    -0.04  -0.03   0.00    -0.08   0.04   0.02     0.02  -0.01  -0.00
    12   6    -0.01   0.00   0.00     0.02   0.01  -0.00    -0.00  -0.01  -0.00
    13   6    -0.03   0.03   0.01    -0.07  -0.06   0.00     0.01   0.01   0.00
    14   6     0.04   0.03  -0.00     0.04  -0.01   0.00    -0.00   0.00   0.01
    15   1     0.46  -0.29  -0.08    -0.10   0.07  -0.00     0.05  -0.03  -0.05
    16   1    -0.45  -0.24   0.02    -0.27  -0.05   0.01     0.03  -0.00  -0.01
    17   1    -0.01   0.05   0.01     0.01  -0.07  -0.01    -0.00   0.02   0.00
    18   1    -0.31   0.22   0.06    -0.42   0.16   0.05     0.06  -0.02  -0.01
    19   1     0.46   0.25  -0.03    -0.11  -0.09  -0.02     0.04   0.03  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1325.7470              1356.6881              1373.5091
 Red. masses --      2.9171                 1.9555                 1.3740
 Frc consts  --      3.0208                 2.1206                 1.5272
 IR Inten    --      7.1212                 6.3985                15.6727
 RamAct Fr= 1--      3.7729                 0.5320                 3.4827
  Dep-P Fr= 1--      0.0770                 0.7442                 0.4290
  Dep-U Fr= 1--      0.1430                 0.8533                 0.6005
 Alpha2 Fr= 1--      0.0698                 0.0001                 0.0232
 Beta2  Fr= 1--      0.0899                 0.0757                 0.3485
 AlphaG Fr= 1--     -0.0341                -0.0018                -0.0057
 Gamma2 Fr= 1--      0.6753                 1.0768                -1.7863
 Delta2 Fr= 1--     -0.1137                -0.6883                -0.0868
 Raman1 Fr= 1--      15.091                  2.128                 13.931
 ROA1   Fr= 1--      61.196                 81.347               -174.262
 CID1   Fr= 1--       4.055                 38.226                -12.509
 Raman2 Fr= 1--       1.079                  0.908                  4.182
 ROA2   Fr= 1--      17.118                 31.350                -42.177
 CID2   Fr= 1--      15.859                 34.528                -10.084
 Raman3 Fr= 1--       2.159                  1.816                  8.365
 ROA3   Fr= 1--      61.196                 81.347               -174.262
 CID3   Fr= 1--      28.349                 44.797                -20.832
 RC180  Fr= 1--      -0.714                  0.707                  0.201
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.01
     2   6     0.13  -0.00  -0.02    -0.07  -0.03   0.02    -0.11  -0.06   0.02
     3   1     0.01  -0.03  -0.00    -0.05   0.08  -0.03    -0.06   0.11  -0.04
     4   1    -0.32  -0.38   0.01     0.40   0.29   0.01     0.57   0.34   0.03
     5   6    -0.07   0.01   0.04     0.03   0.00  -0.03     0.02  -0.03  -0.04
     6   6    -0.06   0.26   0.03     0.02   0.02   0.01     0.03   0.07   0.02
     7   1     0.19   0.06   0.06    -0.10  -0.05  -0.03    -0.03   0.04  -0.06
     8   1     0.14  -0.05  -0.11    -0.08   0.06   0.08     0.02   0.15   0.14
     9   1    -0.10  -0.10  -0.08     0.04   0.00   0.07     0.08   0.18   0.10
    10   6     0.06  -0.08  -0.01     0.13  -0.06  -0.02    -0.02   0.01   0.00
    11   6    -0.10  -0.10  -0.00    -0.08  -0.03   0.00    -0.03  -0.02   0.00
    12   6     0.01   0.10   0.01     0.01   0.14   0.01    -0.00  -0.03  -0.00
    13   6     0.12  -0.07  -0.02     0.07  -0.04  -0.01     0.02  -0.03  -0.01
    14   6    -0.10  -0.08   0.00    -0.14  -0.04   0.01     0.04   0.01  -0.01
    15   1     0.32  -0.25  -0.06    -0.43   0.29   0.08     0.26  -0.17  -0.04
    16   1     0.39   0.14  -0.02    -0.12  -0.05   0.01     0.21   0.10  -0.01
    17   1    -0.00  -0.08  -0.01    -0.01  -0.29  -0.03     0.01   0.21   0.02
    18   1    -0.22   0.15   0.04     0.12  -0.06  -0.01    -0.26   0.15   0.04
    19   1    -0.19  -0.13   0.01     0.41   0.24  -0.02    -0.31  -0.17   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1407.3434              1410.6040              1486.5301
 Red. masses --      1.1950                 1.2382                 2.1007
 Frc consts  --      1.3945                 1.4516                 2.7350
 IR Inten    --     32.1707                30.7261                11.0043
 RamAct Fr= 1--      3.1494                 3.2907                 1.8585
  Dep-P Fr= 1--      0.7450                 0.7475                 0.6101
  Dep-U Fr= 1--      0.8539                 0.8555                 0.7578
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0048
 Beta2  Fr= 1--      0.4482                 0.4692                 0.2347
 AlphaG Fr= 1--     -0.0025                -0.0022                 0.0136
 Gamma2 Fr= 1--      0.5552                 0.5464                 0.6478
 Delta2 Fr= 1--     -0.5160                 0.4462                -0.1964
 Raman1 Fr= 1--      12.598                 13.163                  7.434
 ROA1   Fr= 1--      36.786                 66.727                 55.904
 CID1   Fr= 1--       2.920                  5.069                  7.520
 Raman2 Fr= 1--       5.378                  5.630                  2.817
 ROA2   Fr= 1--      17.452                  9.543                 17.119
 CID2   Fr= 1--       3.245                  1.695                  6.077
 Raman3 Fr= 1--      10.757                 11.261                  5.634
 ROA3   Fr= 1--      36.786                 66.727                 55.904
 CID3   Fr= 1--       3.420                  5.926                  9.923
 RC180  Fr= 1--       0.708                  0.711                  0.516
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02   0.04    -0.02   0.02   0.04    -0.00  -0.00  -0.00
     2   6     0.04  -0.03  -0.03     0.01  -0.07  -0.03     0.03   0.04   0.01
     3   1     0.19  -0.33   0.15     0.18  -0.29   0.14    -0.01  -0.00  -0.00
     4   1    -0.23   0.47  -0.25    -0.15   0.53  -0.26    -0.14  -0.09   0.01
     5   6    -0.06  -0.08  -0.02     0.05   0.09   0.01     0.00  -0.02   0.01
     6   6    -0.00  -0.00  -0.01    -0.01   0.01  -0.00    -0.02  -0.15  -0.02
     7   1     0.26   0.22  -0.06    -0.21  -0.34   0.11    -0.15   0.13  -0.08
     8   1     0.36   0.20   0.11    -0.23  -0.22  -0.22     0.05   0.08   0.11
     9   1     0.06   0.41   0.04    -0.05  -0.35  -0.05    -0.01  -0.01  -0.16
    10   6     0.00  -0.00   0.00    -0.00   0.01   0.00     0.09   0.05  -0.00
    11   6     0.00  -0.00  -0.00    -0.01  -0.01   0.00    -0.14   0.01   0.01
    12   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.12  -0.01
    13   6    -0.00   0.00   0.00     0.02  -0.01  -0.00     0.13  -0.00  -0.01
    14   6    -0.01  -0.00   0.00     0.00   0.01   0.00    -0.08   0.06   0.02
    15   1    -0.05   0.03   0.01     0.06  -0.03  -0.01    -0.10   0.19   0.03
    16   1    -0.01  -0.01  -0.00     0.07   0.04  -0.00     0.32   0.26  -0.00
    17   1     0.00  -0.03  -0.00     0.00   0.08   0.01     0.04   0.60   0.06
    18   1     0.04  -0.02  -0.01    -0.07   0.05   0.01    -0.28   0.28   0.06
    19   1     0.04   0.02  -0.00    -0.05  -0.02   0.00     0.10   0.17   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1496.5011              1497.8098              1534.4018
 Red. masses --      1.0739                 1.0560                 2.1825
 Frc consts  --      1.4171                 1.3958                 3.0275
 IR Inten    --      3.5379                 8.0368                 8.1864
 RamAct Fr= 1--      5.2462                 4.6847                 0.2599
  Dep-P Fr= 1--      0.6898                 0.6434                 0.5195
  Dep-U Fr= 1--      0.8164                 0.7830                 0.6838
 Alpha2 Fr= 1--      0.0055                 0.0090                 0.0012
 Beta2  Fr= 1--      0.7138                 0.6113                 0.0296
 AlphaG Fr= 1--     -0.0036                -0.0073                 0.0014
 Gamma2 Fr= 1--     -2.4235                 0.5210                 0.3308
 Delta2 Fr= 1--     -0.1571                 0.7804                -0.1671
 Raman1 Fr= 1--      20.985                 18.739                  1.040
 ROA1   Fr= 1--    -237.682                 74.988                 26.408
 CID1   Fr= 1--     -11.326                  4.002                 25.400
 Raman2 Fr= 1--       8.566                  7.336                  0.355
 ROA2   Fr= 1--     -56.907                  6.261                  9.275
 CID2   Fr= 1--      -6.643                  0.853                 26.094
 Raman3 Fr= 1--      17.132                 14.672                  0.711
 ROA3   Fr= 1--    -237.682                 74.988                 26.408
 CID3   Fr= 1--     -13.873                  5.111                 37.148
 RC180  Fr= 1--       0.633                  0.566                  0.368
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00  -0.00
     2   6    -0.02   0.02  -0.01    -0.03   0.01   0.02    -0.03  -0.00   0.00
     3   1     0.01   0.00   0.00    -0.04   0.08  -0.03     0.01   0.00   0.00
     4   1     0.01  -0.06   0.02     0.09  -0.01   0.05    -0.02   0.00  -0.00
     5   6    -0.03   0.02  -0.04    -0.02   0.02   0.04     0.00   0.00  -0.00
     6   6     0.00  -0.03  -0.00     0.01  -0.01  -0.00     0.14  -0.00  -0.01
     7   1     0.60  -0.24   0.18    -0.07  -0.43   0.17     0.01   0.02  -0.01
     8   1    -0.18  -0.22  -0.22     0.51  -0.21  -0.43    -0.05   0.00   0.02
     9   1     0.07   0.13   0.61     0.02   0.38  -0.35     0.00  -0.01   0.03
    10   6     0.02   0.00  -0.00     0.00   0.00  -0.00    -0.06   0.09   0.02
    11   6    -0.02   0.01   0.00    -0.01  -0.00   0.00    -0.11  -0.09   0.00
    12   6    -0.00  -0.02  -0.00     0.00  -0.00  -0.00     0.10  -0.03  -0.01
    13   6     0.02  -0.00  -0.00    -0.00   0.00   0.00    -0.11   0.12   0.02
    14   6    -0.01   0.01   0.00    -0.00   0.00   0.00    -0.08  -0.10  -0.00
    15   1    -0.04   0.04  -0.00    -0.02   0.02   0.01     0.41  -0.19  -0.06
    16   1     0.03   0.04   0.00     0.02   0.01  -0.00     0.43   0.18  -0.02
    17   1     0.00   0.09   0.01     0.00   0.01   0.00     0.13   0.03  -0.01
    18   1    -0.05   0.04   0.01     0.00   0.00   0.00     0.43  -0.21  -0.06
    19   1     0.01   0.02   0.00     0.02   0.01  -0.00     0.43   0.15  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1627.7043              1649.3763              3028.0905
 Red. masses --      5.4621                 5.5004                 1.0736
 Frc consts  --      8.5264                 8.8163                 5.7999
 IR Inten    --      0.8399                 1.6432                 7.1099
 RamAct Fr= 1--      7.2710                34.0763               250.6697
  Dep-P Fr= 1--      0.7499                 0.6406                 0.0914
  Dep-U Fr= 1--      0.8571                 0.7809                 0.1675
 Alpha2 Fr= 1--      0.0000                 0.0673                 4.4818
 Beta2  Fr= 1--      1.0387                 4.4351                 6.9985
 AlphaG Fr= 1--      0.0010                -0.0075                -1.8651
 Gamma2 Fr= 1--      0.4522                 0.3428                -1.8394
 Delta2 Fr= 1--      0.1754                -0.2593                -0.5121
 Raman1 Fr= 1--      29.084                136.305               1002.679
 ROA1   Fr= 1--      49.027                 24.614               -192.968
 CID1   Fr= 1--       1.686                  0.181                 -0.192
 Raman2 Fr= 1--      12.464                 53.221                 83.982
 ROA2   Fr= 1--       9.451                 10.302                -40.049
 CID2   Fr= 1--       0.758                  0.194                 -0.477
 Raman3 Fr= 1--      24.928                106.442                167.965
 ROA3   Fr= 1--      49.027                 24.614               -192.968
 CID3   Fr= 1--       1.967                  0.231                 -1.149
 RC180  Fr= 1--       0.714                  0.562                 -0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.01   0.04   0.00     0.03  -0.00  -0.00     0.01  -0.02  -0.07
     3   1     0.00  -0.01   0.00    -0.01   0.00  -0.00     0.01  -0.01  -0.01
     4   1    -0.10  -0.05   0.01     0.04  -0.01   0.01    -0.16   0.26   0.79
     5   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.02   0.02
     6   6    -0.00  -0.29  -0.03    -0.21   0.03   0.03     0.00  -0.00  -0.00
     7   1    -0.00   0.01  -0.01    -0.01  -0.01   0.00     0.08  -0.15  -0.43
     8   1    -0.03  -0.00   0.01     0.00   0.00  -0.00     0.04  -0.14   0.13
     9   1     0.01   0.02   0.02    -0.00  -0.02  -0.01    -0.15   0.03   0.02
    10   6    -0.09   0.20   0.03     0.28  -0.10  -0.04    -0.00  -0.00  -0.00
    11   6    -0.09  -0.21  -0.02    -0.27  -0.06   0.02     0.00  -0.00  -0.00
    12   6     0.03   0.36   0.04     0.14  -0.00  -0.01     0.00   0.00   0.00
    13   6     0.04  -0.20  -0.03    -0.27   0.08   0.04     0.00   0.00  -0.00
    14   6     0.11   0.17   0.01     0.30   0.06  -0.02    -0.00   0.00   0.00
    15   1     0.35  -0.07  -0.04    -0.30   0.26   0.06     0.01   0.01   0.00
    16   1     0.28  -0.05  -0.03     0.25   0.21  -0.00     0.00   0.00  -0.00
    17   1    -0.01  -0.50  -0.06     0.15  -0.02  -0.02    -0.00   0.00   0.00
    18   1    -0.21  -0.06   0.01     0.24  -0.25  -0.05     0.00  -0.00  -0.00
    19   1    -0.27  -0.02   0.03    -0.32  -0.27   0.01     0.00  -0.00  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3035.0030              3097.0587              3117.3157
 Red. masses --      1.0471                 1.1002                 1.1009
 Frc consts  --      5.6825                 6.2174                 6.3032
 IR Inten    --     19.0612                28.5173                22.6329
 RamAct Fr= 1--     54.9364                48.8641               113.3691
  Dep-P Fr= 1--      0.1101                 0.4348                 0.5392
  Dep-U Fr= 1--      0.1984                 0.6060                 0.7007
 Alpha2 Fr= 1--      0.9383                 0.3181                 0.4599
 Beta2  Fr= 1--      1.8162                 4.9356                13.2388
 AlphaG Fr= 1--      0.2334                 0.9658                -0.4031
 Gamma2 Fr= 1--      1.1359                 0.6700                -2.1427
 Delta2 Fr= 1--     -0.9350                 2.4423                -2.8621
 Raman1 Fr= 1--     219.746                195.456                453.476
 ROA1   Fr= 1--      79.129                142.475               -297.284
 CID1   Fr= 1--       0.360                  0.729                 -0.656
 Raman2 Fr= 1--      21.795                 59.227                158.866
 ROA2   Fr= 1--      34.742                 -3.457                -28.527
 CID2   Fr= 1--       1.594                 -0.058                 -0.180
 Raman3 Fr= 1--      43.589                118.454                317.731
 ROA3   Fr= 1--      79.129                142.475               -297.284
 CID3   Fr= 1--       1.815                  1.203                 -0.936
 RC180  Fr= 1--      -0.603                  0.212                  0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.01  -0.01  -0.04     0.00  -0.00  -0.01    -0.00   0.00   0.00
     3   1     0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.00   0.00  -0.00
     4   1    -0.09   0.14   0.45    -0.03   0.05   0.14     0.01  -0.02  -0.04
     5   6    -0.01  -0.04  -0.01     0.01   0.02  -0.09    -0.08   0.04   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1    -0.10   0.19   0.54    -0.11   0.22   0.59     0.02  -0.06  -0.20
     8   1    -0.13   0.37  -0.34     0.19  -0.53   0.46     0.09  -0.28   0.26
     9   1     0.39  -0.09  -0.04    -0.16   0.04  -0.00     0.87  -0.18  -0.09
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.01  -0.00     0.01   0.01   0.00     0.02   0.02   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    17   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3166.9710              3175.5023              3187.0981
 Red. masses --      1.0850                 1.0881                 1.0915
 Frc consts  --      6.4116                 6.4645                 6.5322
 IR Inten    --      0.4105                 6.7096                14.9840
 RamAct Fr= 1--     45.3799               124.9597                51.0372
  Dep-P Fr= 1--      0.6901                 0.7473                 0.6492
  Dep-U Fr= 1--      0.8167                 0.8554                 0.7873
 Alpha2 Fr= 1--      0.0476                 0.0057                 0.0924
 Beta2  Fr= 1--      6.1767                17.8145                 6.6971
 AlphaG Fr= 1--     -0.0138                -0.0041                -0.0642
 Gamma2 Fr= 1--      0.0103                 1.1040                 0.2036
 Delta2 Fr= 1--      0.1888                 0.4393                -0.8280
 Raman1 Fr= 1--     181.520                499.839                204.149
 ROA1   Fr= 1--       7.028                120.044                 -6.951
 CID1   Fr= 1--       0.039                  0.240                 -0.034
 Raman2 Fr= 1--      74.121                213.774                 80.366
 ROA2   Fr= 1--      -1.265                 22.983                 11.511
 CID2   Fr= 1--      -0.017                  0.108                  0.143
 Raman3 Fr= 1--     148.242                427.548                160.731
 ROA3   Fr= 1--       7.028                120.044                 -6.951
 CID3   Fr= 1--       0.047                  0.281                 -0.043
 RC180  Fr= 1--       0.633                  0.711                  0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.01   0.00     0.00  -0.01   0.01    -0.00   0.01  -0.01
     9   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    10   6     0.01   0.01   0.00     0.01   0.02   0.00    -0.01  -0.02  -0.00
    11   6     0.02  -0.04  -0.01     0.03  -0.05  -0.01    -0.01   0.03   0.00
    12   6    -0.05   0.00   0.00    -0.01   0.00   0.00    -0.06   0.00   0.01
    13   6     0.03   0.04   0.00    -0.03  -0.04  -0.00     0.00  -0.00  -0.00
    14   6     0.01  -0.02  -0.00    -0.01   0.03   0.00    -0.02   0.05   0.01
    15   1    -0.08  -0.13  -0.01    -0.13  -0.20  -0.01     0.15   0.23   0.01
    16   1    -0.23   0.45   0.07    -0.29   0.59   0.10     0.14  -0.29  -0.05
    17   1     0.57  -0.03  -0.06     0.08  -0.01  -0.01     0.63  -0.03  -0.06
    18   1    -0.31  -0.47  -0.03     0.32   0.50   0.03    -0.01   0.00   0.00
    19   1    -0.11   0.21   0.03     0.16  -0.33  -0.05     0.29  -0.56  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3194.3051              3201.2175              3776.7472
 Red. masses --      1.0945                 1.0940                 1.0660
 Frc consts  --      6.5797                 6.6051                 8.9583
 IR Inten    --     19.6470                 7.3182                18.2674
 RamAct Fr= 1--    129.9753               227.5241                53.8792
  Dep-P Fr= 1--      0.0995                 0.1098                 0.1367
  Dep-U Fr= 1--      0.1811                 0.1978                 0.2406
 Alpha2 Fr= 1--      2.2782                 3.8892                 0.8613
 Beta2  Fr= 1--      3.9223                 7.5013                 2.1603
 AlphaG Fr= 1--      0.3892                 0.0211                 0.5975
 Gamma2 Fr= 1--      3.0527                -2.7507                 4.6257
 Delta2 Fr= 1--      2.7905                -2.0641                 0.6054
 Raman1 Fr= 1--     519.901                910.096                215.517
 ROA1   Fr= 1--     382.352               -330.123                463.437
 CID1   Fr= 1--       0.735                 -0.363                  2.150
 Raman2 Fr= 1--      47.067                 90.016                 25.923
 ROA2   Fr= 1--      50.940                -49.505                106.173
 CID2   Fr= 1--       1.082                 -0.550                  4.096
 Raman3 Fr= 1--      94.135                180.031                 51.847
 ROA3   Fr= 1--     382.352               -330.123                463.437
 CID3   Fr= 1--       4.062                 -1.834                  8.939
 RC180  Fr= 1--      -0.638                 -0.604                 -0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.06
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.29   0.14   0.95
     4   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00  -0.00
     8   1    -0.00   0.01  -0.01    -0.01   0.02  -0.02    -0.00  -0.00   0.00
     9   1    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00   0.00  -0.00
    10   6    -0.02  -0.03  -0.00    -0.04  -0.06  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.01   0.00     0.02  -0.03  -0.01    -0.00  -0.00  -0.00
    12   6    -0.04   0.00   0.00     0.02   0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.03  -0.04  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    14   6     0.03  -0.05  -0.01    -0.01   0.01   0.00     0.00   0.00  -0.00
    15   1     0.20   0.32   0.02     0.45   0.70   0.04    -0.00  -0.00   0.00
    16   1     0.02  -0.06  -0.01    -0.19   0.37   0.06     0.00  -0.00  -0.00
    17   1     0.42  -0.02  -0.04    -0.27   0.01   0.03     0.00  -0.00   0.00
    18   1     0.29   0.45   0.02    -0.09  -0.15  -0.01     0.00   0.00   0.00
    19   1    -0.28   0.54   0.08     0.06  -0.11  -0.02    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   521.722681532.203461968.36885
           X            0.99962   0.02743  -0.00325
           Y           -0.02740   0.99960   0.00701
           Z            0.00344  -0.00692   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16602     0.05653     0.04400
 Rotational constants (GHZ):           3.45920     1.17787     0.91687
 Zero-point vibrational energy     422754.7 (Joules/Mol)
                                  101.04079 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     38.35   209.21   316.64   398.83   417.34
          (Kelvin)            494.02   570.95   595.55   681.96   717.97
                              881.69   918.12  1025.26  1080.31  1140.10
                             1238.36  1299.12  1341.12  1395.30  1414.89
                             1472.49  1477.39  1518.68  1554.24  1564.87
                             1626.84  1705.92  1740.86  1761.68  1822.68
                             1907.45  1951.97  1976.17  2024.85  2029.54
                             2138.79  2153.13  2155.01  2207.66  2341.90
                             2373.08  4356.75  4366.69  4455.98  4485.12
                             4556.56  4568.84  4585.52  4595.89  4605.84
                             5433.90
 
 Zero-point correction=                           0.161019 (Hartree/Particle)
 Thermal correction to Energy=                    0.169366
 Thermal correction to Enthalpy=                  0.170310
 Thermal correction to Gibbs Free Energy=         0.127380
 Sum of electronic and zero-point Energies=           -386.114894
 Sum of electronic and thermal Energies=              -386.106548
 Sum of electronic and thermal Enthalpies=            -386.105603
 Sum of electronic and thermal Free Energies=         -386.148533
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.278             32.215             90.353
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.844
 Vibrational            104.501             26.253             21.196
 Vibration     1          0.593              1.984              6.064
 Vibration     2          0.617              1.908              2.731
 Vibration     3          0.647              1.811              1.958
 Vibration     4          0.678              1.716              1.551
 Vibration     5          0.686              1.692              1.474
 Vibration     6          0.722              1.589              1.196
 Vibration     7          0.763              1.477              0.974
 Vibration     8          0.778              1.440              0.913
 Vibration     9          0.831              1.308              0.726
 Vibration    10          0.854              1.252              0.661
 Vibration    11          0.972              1.005              0.428
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.256598D-58        -58.590747       -134.910180
 Total V=0       0.296941D+16         15.472671         35.627140
 Vib (Bot)       0.107793D-71        -71.967408       -165.711081
 Vib (Bot)    1  0.776928D+01          0.890381          2.050177
 Vib (Bot)    2  0.139628D+01          0.144973          0.333813
 Vib (Bot)    3  0.898764D+00         -0.046354         -0.106735
 Vib (Bot)    4  0.694599D+00         -0.158266         -0.364421
 Vib (Bot)    5  0.659246D+00         -0.180953         -0.416659
 Vib (Bot)    6  0.539638D+00         -0.267898         -0.616857
 Vib (Bot)    7  0.450186D+00         -0.346608         -0.798095
 Vib (Bot)    8  0.426166D+00         -0.370421         -0.852925
 Vib (Bot)    9  0.354664D+00         -0.450183         -1.036585
 Vib (Bot)   10  0.329641D+00         -0.481959         -1.109751
 Vib (Bot)   11  0.240452D+00         -0.618971         -1.425234
 Vib (V=0)       0.124741D+03          2.096009          4.826240
 Vib (V=0)    1  0.828535D+01          0.918311          2.114489
 Vib (V=0)    2  0.198311D+01          0.297346          0.684664
 Vib (V=0)    3  0.152848D+01          0.184261          0.424276
 Vib (V=0)    4  0.135584D+01          0.132209          0.304423
 Vib (V=0)    5  0.132741D+01          0.123005          0.283229
 Vib (V=0)    6  0.123567D+01          0.091902          0.211613
 Vib (V=0)    7  0.117281D+01          0.069226          0.159399
 Vib (V=0)    8  0.115698D+01          0.063324          0.145810
 Vib (V=0)    9  0.111301D+01          0.046501          0.107072
 Vib (V=0)   10  0.109889D+01          0.040952          0.094296
 Vib (V=0)   11  0.105481D+01          0.023175          0.053363
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.449032D+06          5.652277         13.014849
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3               3333333 33                                             11 1111111111111111111                                  
      7               2111110 00                                             66 54444433322211000009999 8 77 7 66   4443 322 2  1    
      7               0987619 32                                             42 39981075262183885228730 6 95 1 31   9719 497 2  4   2
      7               1476777 58                                             98 48771747674061806733023 1 21 3 83   9447 307 0  5   7
 
      X               XXXXXXX XX                                             XX XXXXXXXXXXXXXXXXXXXX XX X XX X XX   XXXX XXX X  X   X
      X               XXXX XX XX                                                XX XXXXXXXX  XXXXXX   X   XX X  X   XX   XXX         
      X                XX  XX X                                                 XX XXXX  XX   XXXXX   X   XX X  X   XX   XXX         
      X                XX  XX X                                                    XXXX  X    XXX X   X    X X  X   X    XXX         
      X                XX  XX X                                                     XXX       XXX X   X    X X  X        XXX         
      X                X   XX X                                                     XX        XXX X        X X  X        XXX         
                           XX                                                       XX        XX  X        X X            XX         
                            X                                                       XX        XX             X            XX         
                            X                                                       XX        XX             X            XX         
                                                                                    XX        XX             X            XX         
                                                                                     X                       X            XX         
                                                                                                             X            XX         
                                                                                                             X            XX         
                                                                                                             X            XX         
                                                                                                                          XX         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000003628    0.000002084   -0.000005617
      2        6           0.000011094   -0.000006758    0.000005180
      3        1           0.000000439    0.000001446   -0.000001157
      4        1           0.000000208   -0.000000078    0.000002417
      5        6          -0.000001972   -0.000005787   -0.000005001
      6        6          -0.000002105    0.000037070    0.000004691
      7        1          -0.000000140    0.000000737    0.000001431
      8        1          -0.000000886    0.000000994    0.000000070
      9        1           0.000001112    0.000000549    0.000000635
     10        6           0.000014776   -0.000014667   -0.000003090
     11        6          -0.000019276   -0.000008097    0.000000300
     12        6           0.000001082    0.000019475    0.000002809
     13        6           0.000017413   -0.000013696   -0.000002984
     14        6          -0.000018375   -0.000015751   -0.000002376
     15        1          -0.000000477    0.000000594    0.000000408
     16        1           0.000000311    0.000000545    0.000000728
     17        1          -0.000000831   -0.000000636   -0.000000241
     18        1          -0.000001178    0.000001198   -0.000000073
     19        1           0.000002430    0.000000777    0.000001872
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037070 RMS     0.000008480
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129448D+03  0.144433D+01 -0.297372D+01
      2   0.144433D+01  0.107806D+03  0.279864D+01
      3  -0.297372D+01  0.279864D+01  0.712802D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.113294D+01 -0.401819D+01 -0.663038D+01
      2   0.124953D+02 -0.668139D+01  0.208876D+01
      3   0.115901D+02  0.402567D+02  0.650582D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.937763D+02 -0.950272D+01  0.104698D+02
      2   0.439191D+02  0.245761D+02 -0.412113D+01
      3   0.498573D+02 -0.150734D+02 -0.634863D+01
      4   0.245275D+02 -0.721648D+02 -0.163752D+02
      5   0.532423D+01 -0.165499D+02  0.641073D+01
      6  -0.519978D+01 -0.313108D+01  0.143315D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.390204D+01 -0.257258D+01  0.106677D+01 -0.434554D+01  0.338783D+01
      2  -0.257258D+01  0.200989D+01 -0.902656D+00  0.338783D+01 -0.448533D+01
      3   0.106677D+01 -0.902656D+00  0.139532D+01 -0.665876D+00  0.144048D+01
                 6             7             8             9            10 
      1  -0.665876D+00 -0.264747D+00 -0.653539D+00  0.148650D+01 -0.296968D+01
      2   0.144048D+01 -0.653539D+00  0.258449D+00 -0.124881D+01  0.744934D+00
      3  -0.491210D+00  0.148650D+01 -0.124881D+01 -0.474541D+01  0.849808D+00
                11            12            13            14            15 
      1   0.744934D+00  0.849808D+00  0.138027D+01 -0.455581D+01  0.587312D-01
      2  -0.221510D+01  0.255975D+00 -0.455581D+01 -0.301476D+00 -0.774481D+00
      3   0.255975D+00 -0.977535D+00  0.587312D-01 -0.774481D+00  0.197984D+01
                16            17            18            19            20 
      1   0.267321D+01 -0.597515D-02 -0.318946D+01 -0.737575D+00  0.196713D+00
      2  -0.597515D-02 -0.766685D+00  0.309500D+01  0.196713D+00 -0.213986D+00
      3  -0.318946D+01  0.309500D+01  0.705999D+01  0.286791D+00  0.303857D+00
                21            22            23            24            25 
      1   0.286791D+00  0.480680D+00  0.805389D-01  0.703304D-01  0.175628D+01
      2   0.303857D+00  0.805389D-01 -0.463734D+00  0.570957D+00 -0.421534D+00
      3  -0.135595D+01  0.703304D-01  0.570957D+00  0.361291D+00  0.430966D+00
                26            27            28            29            30 
      1  -0.421534D+00  0.430966D+00  0.194985D+01 -0.494005D+00 -0.190556D+01
      2   0.161154D+01 -0.101009D+01 -0.494005D+00  0.683972D+00  0.381491D+00
      3  -0.101009D+01  0.656403D+01 -0.190556D+01  0.381491D+00  0.147124D+01
                31            32            33            34            35 
      1  -0.173690D+01  0.165795D+01  0.635176D+00 -0.462322D+01  0.715314D+00
      2   0.165795D+01 -0.123455D+01 -0.132576D+01  0.715314D+00 -0.157875D+01
      3   0.635176D+00 -0.132576D+01 -0.182429D+01  0.298700D+01 -0.204461D+01
                36            37            38            39            40 
      1   0.298700D+01 -0.766616D+01  0.223091D+01  0.908367D+00  0.458738D+01
      2  -0.204461D+01  0.223091D+01  0.287705D+01 -0.290094D+00  0.300631D+01
      3  -0.791730D+01  0.908367D+00 -0.290094D+00  0.158730D+01 -0.218857D+00
                41            42            43            44            45 
      1   0.300631D+01 -0.218857D+00  0.719976D+00  0.150076D+00  0.597593D+00
      2  -0.298175D+00  0.166752D+01  0.150076D+00  0.186431D+01 -0.403339D+01
      3   0.166752D+01 -0.401799D+01  0.597593D+00 -0.403339D+01 -0.388441D+01
                46            47            48            49            50 
      1   0.160505D+02 -0.192246D+01 -0.743506D+00 -0.162640D+01 -0.171196D+01
      2  -0.192246D+01  0.265886D+01 -0.354519D-01 -0.171196D+01 -0.157140D+00
      3  -0.743506D+00 -0.354519D-01  0.225841D+01 -0.398558D+00  0.177252D+00
                51            52            53            54            55 
      1  -0.398558D+00 -0.634133D+00 -0.392372D+00  0.378023D+01  0.467585D+00
      2   0.177252D+00 -0.392372D+00 -0.937590D-01 -0.379003D+00  0.137017D+00
      3  -0.491383D+00  0.378023D+01 -0.379003D+00 -0.144264D+01  0.800807D+00
                56            57            58            59            60 
      1   0.137017D+00  0.800807D+00  0.157198D+00  0.133024D+00  0.107659D+00
      2  -0.528874D+00 -0.980539D-01  0.133024D+00  0.187559D+01  0.123612D+01
      3  -0.980539D-01 -0.672345D+00  0.107659D+00  0.123612D+01  0.177561D+01
                61            62            63            64            65 
      1   0.204055D+01  0.707784D+00  0.569546D+00 -0.124172D+00  0.362323D+00
      2   0.707784D+00  0.207217D+01  0.239418D+01  0.362323D+00 -0.818702D+00
      3   0.569546D+00  0.239418D+01  0.631067D+01 -0.714717D+00  0.329999D+00
                66            67            68            69            70 
      1  -0.714717D+00  0.110256D+01  0.242567D+00 -0.527860D-01 -0.160893D+01
      2   0.329999D+00  0.242567D+00  0.518822D+01 -0.256291D+01 -0.481949D+00
      3  -0.614914D+00 -0.527860D-01 -0.256291D+01  0.260786D+01  0.738060D-01
                71            72            73            74            75 
      1  -0.481949D+00  0.738060D-01  0.126690D+02  0.410553D+00 -0.786347D+00
      2  -0.311333D+01  0.271011D+01  0.410553D+00  0.101774D+01  0.359259D-02
      3   0.271011D+01 -0.300483D+01 -0.786347D+00  0.359259D-02  0.108240D+01
                76            77            78            79            80 
      1  -0.193335D+01  0.865892D+00  0.754461D-01 -0.101920D+01 -0.605262D-01
      2   0.865892D+00 -0.388015D+00 -0.283367D+00 -0.605262D-01 -0.445851D+00
      3   0.754461D-01 -0.283367D+00  0.217816D-01  0.135522D+01  0.408099D+00
                81            82            83            84            85 
      1   0.135522D+01 -0.496732D+01 -0.102336D+01  0.238202D-01  0.779515D+01
      2   0.408099D+00 -0.102336D+01  0.319907D+01  0.612603D+00  0.163112D+00
      3  -0.638612D-01  0.238202D-01  0.612603D+00  0.191813D+01 -0.137239D+00
                86            87            88            89            90 
      1   0.163112D+00 -0.137239D+00  0.147304D+01  0.485194D-01  0.168369D+01
      2   0.164756D+01 -0.601824D+00  0.485194D-01 -0.104418D+01  0.337649D+01
      3  -0.601824D+00  0.219393D+01  0.168369D+01  0.337649D+01  0.240486D+00
                91            92            93            94            95 
      1   0.378301D+01  0.515885D-01 -0.328371D+00  0.559333D+01  0.359401D-01
      2   0.515885D-01 -0.255512D+01  0.315539D+00  0.359401D-01  0.118314D+01
      3  -0.328371D+00  0.315539D+00 -0.115897D+01  0.198518D+00 -0.666419D+00
                96            97            98            99           100 
      1   0.198518D+00 -0.738040D-01  0.673759D+00 -0.223685D+01 -0.541380D+01
      2  -0.666419D+00  0.673759D+00 -0.649251D+00  0.386855D+01 -0.287832D-01
      3   0.262017D+01 -0.223685D+01  0.386855D+01  0.173139D+01 -0.531071D+00
               101           102           103           104           105 
      1  -0.287832D-01 -0.531071D+00  0.278596D+00  0.570244D+00  0.567402D+00
      2  -0.337603D+01  0.157653D-01  0.570244D+00 -0.506327D+00 -0.278562D+00
      3   0.157653D-01 -0.327758D+01  0.567402D+00 -0.278562D+00 -0.741642D-02
               106           107           108           109           110 
      1  -0.361155D+00  0.670708D+00 -0.532626D+01  0.231966D+01 -0.223642D+00
      2   0.670708D+00  0.289124D+00  0.700835D-01 -0.223642D+00 -0.290597D+01
      3  -0.532626D+01  0.700835D-01  0.118314D+01 -0.501889D+00 -0.601522D+00
               111           112           113           114           115 
      1  -0.501889D+00 -0.541728D+01  0.606663D+00  0.579663D+00 -0.126993D+01
      2  -0.601522D+00  0.606663D+00 -0.261325D+00  0.720892D+00  0.114352D+00
      3  -0.169818D+01  0.579663D+00  0.720892D+00 -0.262096D+01 -0.283308D+01
               116           117           118           119           120 
      1   0.114352D+00 -0.283308D+01 -0.392388D+01  0.193871D+01  0.296243D+00
      2   0.116262D+01 -0.353210D+01  0.193871D+01  0.314675D+01 -0.136396D+00
      3  -0.353210D+01 -0.360745D+00  0.296243D+00 -0.136396D+00  0.145118D+01
               121           122           123           124           125 
      1  -0.672713D+01  0.616322D+00 -0.171172D+00  0.295442D-03 -0.485811D+00
      2   0.616322D+00 -0.162342D+01  0.554563D+00 -0.485811D+00  0.149381D+00
      3  -0.171172D+00  0.554563D+00 -0.199434D+01  0.930683D+00 -0.352923D+01
               126           127           128           129           130 
      1   0.930683D+00  0.295392D+01  0.231231D+01  0.441423D-01  0.242750D+01
      2  -0.352923D+01  0.231231D+01  0.235368D+01  0.449521D-01  0.283608D+01
      3  -0.163692D+01  0.441423D-01  0.449521D-01  0.142185D+00  0.153647D+00
               131           132           133           134           135 
      1   0.283608D+01  0.153647D+00 -0.113344D+00  0.155158D+00 -0.531216D-01
      2   0.669667D+01  0.389398D+00  0.155158D+00  0.570159D+00  0.119463D+00
      3   0.389398D+00  0.611744D+00 -0.531216D-01  0.119463D+00  0.608898D-01
               136           137           138           139           140 
      1  -0.292369D+01  0.302221D+01  0.542356D+00  0.266379D+01 -0.405291D+01
      2   0.302221D+01 -0.318620D+01 -0.563422D+00 -0.405291D+01  0.868753D+01
      3   0.542356D+00 -0.563422D+00 -0.487720D+00 -0.595787D+00  0.121738D+01
               141           142           143           144           145 
      1  -0.595787D+00  0.647473D+00 -0.792673D+00 -0.200861D+00 -0.133134D+02
      2   0.121738D+01 -0.792673D+00  0.141746D+01  0.227824D+00  0.412729D+00
      3   0.962142D+00 -0.200861D+00  0.227824D+00  0.212538D+00  0.113351D+01
               146           147           148           149           150 
      1   0.412729D+00  0.113351D+01  0.472554D+00 -0.160614D+01 -0.230096D+00
      2  -0.746271D+00 -0.261585D-01 -0.160614D+01  0.120482D+00  0.145028D+00
      3  -0.261585D-01 -0.980881D+00 -0.230096D+00  0.145028D+00  0.618746D-01
               151           152           153           154           155 
      1   0.122359D+01 -0.225697D+00 -0.556828D-01 -0.406714D+01 -0.365153D+01
      2  -0.225697D+00  0.764880D-01  0.161088D-01 -0.365153D+01 -0.373458D+01
      3  -0.556828D-01  0.161088D-01  0.758508D-01 -0.126500D+00 -0.841712D-01
               156           157           158           159           160 
      1  -0.126500D+00 -0.341746D+01 -0.460808D+01 -0.355803D+00 -0.152310D+00
      2  -0.841712D-01 -0.460808D+01 -0.792644D+01 -0.491705D+00 -0.235377D+00
      3  -0.493669D+00 -0.355803D+00 -0.491705D+00 -0.766964D+00 -0.769735D-01
               161           162           163           164           165 
      1  -0.235377D+00 -0.769735D-01  0.201122D+01 -0.190362D+01 -0.314657D+00
      2  -0.649517D+00 -0.194192D+00 -0.190362D+01  0.233382D+01  0.474152D+00
      3  -0.194192D+00 -0.118192D+00 -0.314657D+00  0.474152D+00  0.411578D+00
               166           167           168           169           170 
      1  -0.173495D+01  0.233244D+01  0.379601D+00 -0.413640D+00  0.519784D+00
      2   0.233244D+01 -0.775327D+01 -0.113458D+01  0.519784D+00 -0.113039D+01
      3   0.379601D+00 -0.113458D+01 -0.981690D+00  0.770494D-01 -0.314488D+00
               171 
      1   0.770494D-01
      2  -0.314488D+00
      3  -0.264657D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.132848D+01  0.100698D+01  0.323902D+01 -0.215903D+01  0.624094D+00
      2   0.892360D+00 -0.284971D+01  0.991526D+01 -0.138690D+00  0.328118D+01
      3   0.182224D+01 -0.992527D+01  0.189443D+01 -0.127787D+01  0.997664D+01
                 6             7             8             9            10 
      1  -0.660317D+01  0.183629D+00  0.143203D+01 -0.696137D+01 -0.903147D-01
      2  -0.219976D+01  0.335503D+01 -0.171902D+01 -0.107216D+02  0.182880D+01
      3  -0.259492D+01  0.130120D+01 -0.192017D+01  0.127967D+01 -0.143294D+01
                11            12            13            14            15 
      1   0.566224D+00  0.406728D-01  0.300683D+01  0.160373D+01 -0.547395D+00
      2   0.212306D+00 -0.218154D+01 -0.854308D+00 -0.391649D+01  0.367674D+01
      3   0.290819D+01  0.210804D+00  0.152986D+02  0.102566D+01  0.200523D+01
                16            17            18            19            20 
      1   0.243887D+00  0.388685D+01 -0.189605D+01  0.443570D+00 -0.399235D+00
      2  -0.120430D+02  0.529026D+01  0.110958D+02  0.297970D+01  0.251254D+00
      3   0.484810D+00  0.350981D+01 -0.771359D+01  0.117683D+01  0.104929D+01
                21            22            23            24            25 
      1  -0.217982D+01 -0.248041D+00  0.126363D+01  0.283026D+00  0.218136D+00
      2  -0.363681D+01 -0.108609D+01  0.959477D+00  0.104689D+01 -0.247597D+01
      3  -0.989906D+00  0.106582D+01  0.451754D+00 -0.692973D+00 -0.164568D+00
                26            27            28            29            30 
      1   0.820713D+00  0.996818D+01 -0.839417D-01 -0.144519D+01 -0.392053D-01
      2  -0.235393D+01  0.151687D+02 -0.218949D+01  0.609751D+00  0.309408D+01
      3  -0.246802D+01  0.319493D+01  0.685542D+00 -0.348331D+01 -0.468924D+00
                31            32            33            34            35 
      1  -0.169475D+01  0.118944D+01 -0.535870D+00  0.105887D+00  0.245171D+01
      2   0.321116D+00 -0.946771D+00 -0.322447D+01  0.103758D+01 -0.327675D+01
      3  -0.212059D+01  0.224829D+01  0.256520D+01 -0.290191D+00  0.291952D+01
                36            37            38            39            40 
      1  -0.265933D+00 -0.208898D+01 -0.531411D+00 -0.270096D+01 -0.105735D+01
      2  -0.133075D+02  0.307294D+01  0.271187D+00  0.686755D+01  0.825332D+00
      3   0.428761D+01 -0.184449D+02 -0.961083D+01  0.236189D+01 -0.205769D+01
                41            42            43            44            45 
      1  -0.413680D+01  0.319671D+01  0.809595D+00  0.754744D+01  0.449711D+01
      2   0.536751D+01 -0.109917D+02 -0.121813D+01 -0.115150D+02 -0.101391D+02
      3   0.623656D+01 -0.566533D+01  0.212436D+01 -0.529674D+01  0.147291D+02
                46            47            48            49            50 
      1   0.300377D+00  0.117303D+01  0.137243D+01  0.278892D+01 -0.182554D+01
      2  -0.177323D+01 -0.499596D+00 -0.456993D+00 -0.340584D+00 -0.472730D+00
      3   0.615588D+01  0.516027D+01 -0.110799D+00  0.144293D+02  0.643405D+00
                51            52            53            54            55 
      1   0.236096D+01  0.569826D+00  0.105550D+02  0.116888D+01 -0.796901D+00
      2  -0.557984D+00 -0.138295D+02 -0.934989D+00  0.159871D+00  0.301138D+01
      3  -0.503760D+00 -0.142579D+01 -0.243389D+01  0.485137D+00 -0.618817D+00
                56            57            58            59            60 
      1  -0.182825D+00  0.853464D+00 -0.134314D+00 -0.134165D+01 -0.408735D+01
      2  -0.204411D+00 -0.129776D+01 -0.436518D+00  0.324382D+01  0.519237D+01
      3   0.167886D+01  0.166179D+01  0.219090D+01 -0.523376D+01 -0.359682D+01
                61            62            63            64            65 
      1  -0.592339D+00 -0.761915D+00 -0.920439D+01  0.516637D+00  0.616311D-01
      2  -0.178672D+01  0.626326D+01  0.168447D+02 -0.257487D+01  0.566624D+00
      3   0.168309D+01 -0.552528D+01 -0.752831D+01 -0.323631D+01  0.268603D+01
                66            67            68            69            70 
      1   0.131326D+01  0.151980D+00  0.159117D+01 -0.491217D+01  0.440345D+00
      2  -0.142432D+01  0.777925D+00 -0.627716D+01  0.640921D+01 -0.217904D+01
      3  -0.219111D+01  0.415379D+01 -0.147303D+02  0.764657D+01 -0.218365D+01
                71            72            73            74            75 
      1  -0.138527D+01  0.400311D+01  0.354716D+00 -0.329643D+00 -0.125382D+01
      2   0.623673D+01 -0.710272D+01 -0.511655D+00  0.292917D+00  0.571952D+01
      3   0.853444D+01 -0.814569D+01  0.145253D+02 -0.580937D+01 -0.113057D+01
                76            77            78            79            80 
      1  -0.198240D+00  0.378027D+00 -0.542791D+00 -0.123586D+01  0.486236D+00
      2   0.443624D-01 -0.600087D+00 -0.192559D+00  0.247201D+01  0.108942D+01
      3  -0.304440D+01  0.241838D+01  0.101927D+01 -0.121139D+01  0.144613D+01
                81            82            83            84            85 
      1  -0.196714D+00 -0.137205D+01  0.415395D+00 -0.350701D+01  0.719966D+00
      2   0.195030D+00 -0.235952D+01  0.185075D+00 -0.207397D+01  0.229433D+01
      3  -0.240230D+00 -0.584367D+01 -0.117286D+01  0.116426D+01  0.588326D+01
                86            87            88            89            90 
      1   0.345395D+00 -0.266375D+01 -0.526735D+01  0.264026D+01  0.792706D+00
      2  -0.336461D+00 -0.484802D+00 -0.130533D+02 -0.110313D+00  0.819873D+00
      3   0.408940D+01 -0.651320D+00  0.124998D+01 -0.203741D+00  0.473439D+01
                91            92            93            94            95 
      1   0.200527D+01 -0.784275D+00  0.220559D+01  0.136643D+00  0.215358D+00
      2   0.475894D+00  0.433464D+00  0.508167D+00  0.559085D+00  0.215332D+01
      3   0.327398D+01 -0.106822D+02 -0.132717D+01  0.647359D+01  0.201525D+01
                96            97            98            99           100 
      1  -0.379116D+01  0.507857D+01  0.185387D+01 -0.959310D+00 -0.516705D-01
      2  -0.718785D+01 -0.706894D+01 -0.100205D+02 -0.213257D+01  0.214540D+00
      3  -0.143618D+01  0.327991D+00 -0.985077D+00  0.522850D+01 -0.656100D+00
               101           102           103           104           105 
      1   0.669814D+00  0.779407D+00  0.346064D+00 -0.185900D+01  0.334787D+01
      2  -0.206606D+00  0.930759D+01 -0.209958D+01  0.330128D+00  0.239718D+00
      3  -0.773351D+01  0.104823D+00  0.106329D+02 -0.323009D+01 -0.183225D+01
               106           107           108           109           110 
      1   0.121921D+01  0.111431D+02  0.142047D+01 -0.136745D+01 -0.362760D+00
      2   0.811547D+01 -0.368727D+00 -0.258669D+01  0.699633D+00  0.181384D+01
      3   0.164304D+01 -0.597983D+00 -0.740175D+00  0.108607D+01 -0.130286D+02
               111           112           113           114           115 
      1  -0.321789D+01  0.123230D+01  0.341192D+00 -0.281357D+01 -0.604978D+01
      2   0.205678D+01 -0.432455D+00 -0.189660D+01  0.674184D+01 -0.478716D+01
      3  -0.133328D+01  0.403351D+01  0.197486D+01  0.128171D+01  0.677144D+00
               116           117           118           119           120 
      1   0.317294D+01  0.116809D+01  0.586491D+00 -0.346963D+00  0.263299D+01
      2   0.972347D+01  0.193381D+01 -0.299784D+01  0.101427D+01 -0.178877D+01
      3   0.312994D+01 -0.424436D+01 -0.396714D+00 -0.209681D+01 -0.151206D+01
               121           122           123           124           125 
      1  -0.814973D+00 -0.512027D+00 -0.332416D+01  0.484620D+01  0.210719D+01
      2   0.792205D-01  0.404115D+00  0.167426D+01 -0.130751D+02  0.110970D+01
      3   0.279668D+01 -0.764206D+01  0.215668D+00 -0.286104D+01  0.498428D+00
               126           127           128           129           130 
      1  -0.124883D+01  0.212110D+00  0.297593D+00 -0.135021D+01 -0.170105D+00
      2   0.184873D+01 -0.561010D+00 -0.201177D+00  0.250636D+00 -0.167541D+00
      3  -0.532967D+01  0.914224D+01  0.467546D+01  0.436693D-01  0.847822D+01
               131           132           133           134           135 
      1  -0.314087D+00 -0.326421D+01  0.420952D+00  0.168398D+01 -0.126109D+00
      2  -0.480102D+00  0.939380D+00 -0.183284D+01 -0.465169D+00 -0.993756D-03
      3   0.700644D+01  0.474678D+00 -0.226638D+00  0.299243D+00  0.122007D+00
               136           137           138           139           140 
      1  -0.249251D+00  0.185473D+00  0.196912D+01  0.156353D+00  0.138753D+00
      2  -0.523543D+00  0.766490D+00  0.195420D+01  0.554726D+00 -0.202392D+01
      3   0.848461D+00 -0.306825D+01 -0.433156D+00 -0.187390D+01  0.132252D+02
               141           142           143           144           145 
      1  -0.410163D+01 -0.513568D+00  0.196190D+01 -0.385623D+00 -0.132671D+00
      2  -0.315808D+01 -0.589669D+00  0.413638D+00 -0.489657D+00 -0.171983D+01
      3   0.171697D+01 -0.492869D+00  0.168854D+01  0.984381D-01 -0.348084D+00
               146           147           148           149           150 
      1  -0.341846D+00  0.248101D+00 -0.180105D+00 -0.183996D-01 -0.316867D+00
      2  -0.292522D-01  0.628346D+01  0.876958D+00 -0.294556D+00 -0.379226D+00
      3  -0.521757D+01  0.115346D+00 -0.398912D+01  0.325478D+00  0.377468D+00
               151           152           153           154           155 
      1  -0.108356D+00  0.628704D+00  0.293842D-01  0.252822D+00  0.528405D+00
      2  -0.310338D+01 -0.723504D-02 -0.313414D+00 -0.435139D+00 -0.417754D+00
      3  -0.840760D+00  0.526666D+00  0.175216D+00 -0.136093D+01 -0.460058D+01
               156           157           158           159           160 
      1  -0.212891D+01 -0.987497D-01  0.147440D+00 -0.365244D+01  0.649659D+00
      2   0.233318D+01  0.242332D+00  0.438729D+00  0.308130D+01 -0.809146D+00
      3   0.890434D-03 -0.308861D+01 -0.125041D+02 -0.527689D+00 -0.530493D+00
               161           162           163           164           165 
      1   0.146737D+01 -0.215758D+00  0.232761D+00 -0.180409D+00  0.172378D+01
      2  -0.400231D+00  0.331803D+00  0.981069D+00 -0.610501D+00  0.214400D+00
      3  -0.145787D+01 -0.275540D+00 -0.709829D+01  0.437477D+01  0.536134D+00
               166           167           168           169           170 
      1  -0.293582D+00  0.771103D+00 -0.367668D+01 -0.298452D+00  0.220407D+01
      2  -0.101962D+01  0.106660D+01 -0.625282D+00 -0.186842D+01  0.326103D+00
      3   0.675590D+01 -0.757775D+01 -0.129688D+01  0.735782D+00 -0.166395D+01
               171 
      1  -0.184892D+00
      2  -0.108714D+00
      3  -0.117448D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.178370D+02 -0.291450D+01 -0.665443D+00 -0.448857D+01 -0.194535D+01
      2  -0.735983D+01 -0.280481D+01 -0.279752D+01 -0.193563D+01  0.142863D+02
      3  -0.104772D+02  0.571931D+01  0.346296D+01  0.642420D+01 -0.123410D+02
      4  -0.171495D+02  0.212554D+02 -0.374007D+01  0.264342D+02 -0.267366D+02
      5   0.711437D+01 -0.427084D+01  0.144352D+02 -0.551426D+01  0.733722D+01
      6  -0.308557D+01  0.295495D+01 -0.538912D+01  0.476710D+01 -0.728915D+01
                 6             7             8             9            10 
      1   0.319760D+01  0.358648D+00  0.104538D+00  0.997745D+01  0.111227D+02
      2  -0.289941D+00  0.557080D+00 -0.241846D+01  0.169438D+01 -0.702092D+01
      3  -0.290766D+01 -0.915728D+00  0.231392D+01 -0.116718D+02 -0.410174D+01
      4   0.759954D+01 -0.538807D+01  0.470688D+01 -0.102242D+02  0.385654D+01
      5  -0.455236D+01  0.137677D+02 -0.751205D+01 -0.147454D+02  0.348466D+01
      6   0.945164D+01 -0.584268D+01  0.619501D+01  0.616226D+01 -0.220076D+01
                11            12            13            14            15 
      1  -0.237907D+01  0.223766D+00 -0.854391D+01 -0.854256D+01  0.779506D+00
      2  -0.124833D+01 -0.175359D+01  0.425784D+00 -0.701725D+00  0.207617D+01
      3   0.362739D+01  0.152983D+01  0.811813D+01  0.924428D+01 -0.285568D+01
      4  -0.207156D+02  0.209950D+00 -0.307853D+02 -0.226317D+01 -0.453526D+01
      5   0.428776D+00 -0.114834D+02  0.239908D+01 -0.382487D+01  0.915632D+01
      6  -0.164944D+01  0.108108D+01 -0.192055D+01  0.177220D+01 -0.593777D+01
                16            17            18            19            20 
      1  -0.853635D+01  0.181980D+01  0.432459D+00 -0.121729D+01 -0.181045D+01
      2  -0.651304D+01  0.591110D+01  0.117530D+02 -0.445373D+00  0.118460D+01
      3   0.150494D+02 -0.773090D+01 -0.121854D+02  0.166266D+01  0.625855D+00
      4   0.295946D+01 -0.745428D+01  0.165659D+02  0.392766D+00 -0.191390D+01
      5  -0.170831D+02  0.152480D+02  0.282470D+02  0.149615D+01  0.361747D+00
      6   0.797646D+01 -0.258221D+00 -0.601812D+01 -0.355533D+00 -0.139618D+01
                21            22            23            24            25 
      1   0.567981D+01 -0.303806D-01 -0.264263D+01 -0.262237D-01  0.524684D+01
      2  -0.312528D+00 -0.565691D+00  0.187229D+01 -0.256120D+01 -0.237248D+01
      3  -0.536728D+01  0.596072D+00  0.770334D+00  0.258743D+01 -0.287436D+01
      4  -0.770282D+00  0.719603D+00 -0.809875D+00  0.188227D+01 -0.418679D+01
      5  -0.387836D+01  0.177699D+00  0.146924D+01  0.175768D+01  0.447620D+01
      6   0.301633D+01  0.367895D+00 -0.136577D+01  0.253698D+01 -0.564208D+00
                26            27            28            29            30 
      1   0.204623D+01 -0.134224D+02  0.487177D+01 -0.800699D+00 -0.436455D+01
      2  -0.119987D+01 -0.806453D+01 -0.652096D+01  0.136043D+01  0.509558D+01
      3  -0.846359D+00  0.214870D+02  0.164919D+01 -0.559731D+00 -0.731032D+00
      4   0.546861D+01 -0.184391D+01 -0.320249D+01  0.704132D+01  0.295808D+01
      5  -0.377477D+01  0.232661D+02 -0.105072D+02  0.288523D+01  0.129528D+02
      6   0.430658D+01 -0.131206D+02  0.278708D+01 -0.488310D+00 -0.152181D+01
                31            32            33            34            35 
      1  -0.742620D-01 -0.243577D+01 -0.288294D+01 -0.295309D+01 -0.352055D+01
      2   0.169081D+01 -0.495808D+00 -0.986633D+00  0.973156D+01 -0.232204D+01
      3  -0.161654D+01  0.293158D+01  0.386957D+01 -0.677847D+01  0.584259D+01
      4   0.993160D+01 -0.590311D+01 -0.614927D+01  0.405552D+01 -0.722514D+01
      5   0.401446D+01 -0.555863D+01 -0.798672D+01  0.189380D+02 -0.879642D+01
      6  -0.227375D+01  0.440806D+01  0.894233D+01 -0.483582D+01  0.590826D+01
                36            37            38            39            40 
      1  -0.106878D+02 -0.560367D+02  0.134428D+01  0.690369D+01  0.158459D+02
      2  -0.163743D+02  0.350581D+02  0.528466D+01 -0.462689D+01 -0.330205D+01
      3   0.270621D+02  0.209786D+02 -0.662894D+01 -0.227680D+01 -0.125439D+02
      4  -0.100862D+02  0.378206D+01  0.192654D+02 -0.857573D-02  0.216311D+02
      5  -0.335133D+02  0.785851D+01 -0.130599D+01  0.926231D+01 -0.138185D+01
      6   0.104452D+02  0.293046D+01 -0.122020D+01  0.624191D+01 -0.555271D+00
                41            42            43            44            45 
      1   0.184731D+02 -0.512668D+01  0.789842D+01 -0.377090D+01  0.177270D+02
      2  -0.786284D+01  0.680138D+01 -0.262213D+01  0.660992D+01 -0.125968D+02
      3  -0.106103D+02 -0.167470D+01 -0.527628D+01 -0.283902D+01 -0.513014D+01
      4   0.501567D+01  0.766095D+01  0.223485D+01  0.878507D+01 -0.167897D+02
      5   0.780053D+01 -0.188418D+02  0.333370D+01 -0.193081D+02 -0.195003D+02
      6   0.831779D+01 -0.121567D+02  0.639987D+00 -0.141441D+02 -0.704089D+01
                46            47            48            49            50 
      1  -0.225042D+02 -0.367897D+00 -0.639040D+00  0.398222D+01 -0.735913D+01
      2   0.830378D+01  0.600165D+00 -0.501294D+00  0.291590D+00  0.141415D+02
      3   0.142004D+02 -0.232268D+00  0.114033D+01 -0.427381D+01 -0.678238D+01
      4  -0.824770D+01  0.573381D+01  0.141423D+00 -0.119295D+02  0.315616D+01
      5  -0.261965D+01  0.141886D+00  0.212035D+01 -0.192278D+01  0.774440D+00
      6  -0.770631D-01 -0.617755D+00 -0.143743D+01  0.126797D+01  0.211535D+01
                51            52            53            54            55 
      1  -0.150547D+00  0.420354D+01  0.623760D-01 -0.100330D+02  0.406646D+01
      2   0.261185D+01 -0.138382D+01  0.770694D+00 -0.385281D+01 -0.303501D+01
      3  -0.246130D+01 -0.281972D+01 -0.833070D+00  0.138858D+02 -0.103145D+01
      4   0.111355D+01 -0.108214D+01  0.222561D+01 -0.155084D+01  0.951778D+00
      5  -0.173729D+01  0.442697D+01 -0.176213D+01 -0.344447D+00  0.298477D+01
      6  -0.451318D+01  0.132542D+00  0.455181D+01 -0.131999D+01  0.273258D+01
                56            57            58            59            60 
      1   0.236280D+01  0.477666D+01  0.142021D+01 -0.724766D+01 -0.451886D+01
      2  -0.219889D+01 -0.156979D+01 -0.106808D+00  0.750797D+01  0.445852D+01
      3  -0.163902D+00 -0.320687D+01 -0.131340D+01 -0.260309D+00  0.603417D-01
      4  -0.117200D+01  0.193086D+01  0.301039D+01  0.865027D+01  0.565306D+01
      5   0.589467D+00 -0.179618D+00  0.133193D+01  0.586842D+01  0.925494D+01
      6  -0.516675D+00 -0.178434D+01  0.732412D+00  0.609030D+01  0.109556D+02
                61            62            63            64            65 
      1   0.766420D+01 -0.413155D+01 -0.132461D+02  0.704924D+00  0.497448D+01
      2  -0.403783D+01  0.416598D+01  0.173835D+00  0.298715D+00 -0.442806D+01
      3  -0.362637D+01 -0.344329D-01  0.130723D+02 -0.100364D+01 -0.546411D+00
      4   0.764018D+01  0.103684D+02  0.103731D+02  0.433499D+00 -0.756321D+00
      5   0.670971D+01  0.120003D+02  0.305695D+02 -0.260551D+01  0.862866D-01
      6   0.168608D+01  0.114226D+02  0.196183D+02 -0.297371D+01  0.204369D+01
                66            67            68            69            70 
      1  -0.528940D+01  0.450989D+01 -0.163449D+02  0.890883D+01 -0.614809D+01
      2   0.272913D+01 -0.201564D+01  0.226956D+02 -0.995090D+01  0.268402D+01
      3   0.256027D+01 -0.249425D+01 -0.635069D+01  0.104207D+01  0.346407D+01
      4  -0.124499D+01  0.622655D+01  0.231406D+02 -0.112981D+02 -0.622440D+01
      5  -0.106846D+01 -0.171234D+01 -0.117895D+02  0.124083D+02  0.340121D+01
      6  -0.297994D+01 -0.823452D+00 -0.138454D+02  0.129892D+02  0.627496D+00
                71            72            73            74            75 
      1   0.889484D+01 -0.124128D+02  0.894774D+02  0.859906D+00 -0.537095D+01
      2  -0.940724D+01  0.592360D+01 -0.483047D+02  0.171656D+01  0.359134D+01
      3   0.512397D+00  0.648921D+01 -0.411727D+02 -0.257647D+01  0.177961D+01
      4  -0.142472D+02  0.112763D+02  0.181187D+02  0.107095D+02 -0.102831D+01
      5   0.126873D+02 -0.129322D+02 -0.804130D+01 -0.849220D-01  0.108817D+02
      6   0.137321D+02 -0.133964D+02 -0.191511D+01 -0.260255D+00  0.240740D+01
                76            77            78            79            80 
      1  -0.127012D+02  0.581189D+01  0.116985D+01 -0.624575D+01  0.520741D+00
      2   0.885756D+01 -0.270584D+01 -0.135194D+01  0.421453D+01 -0.108815D+01
      3   0.384369D+01 -0.310604D+01  0.182091D+00  0.203122D+01  0.567404D+00
      4   0.775339D+01 -0.177757D+01 -0.155036D+01 -0.148642D+01 -0.240547D+01
      5   0.880671D+00 -0.180281D+01 -0.768582D+00  0.127281D+02  0.188910D+01
      6  -0.194157D+00 -0.655597D+00  0.171808D+01  0.197019D+01  0.251856D+01
                81            82            83            84            85 
      1   0.641964D+01  0.587627D+01 -0.169950D+02 -0.293157D+01  0.807332D+00
      2  -0.462228D+01 -0.585981D+01  0.119011D+02  0.974884D+00 -0.115076D+02
      3  -0.179736D+01 -0.164602D-01  0.509384D+01  0.195669D+01  0.107003D+02
      4   0.290927D+01 -0.927769D+01 -0.128731D+02  0.990279D+00  0.630254D+01
      5  -0.152004D+01 -0.138063D+01  0.137737D+01 -0.336187D+01  0.521353D+00
      6   0.267866D+00  0.281304D+01  0.108342D+01  0.689201D+01 -0.410020D+01
                86            87            88            89            90 
      1   0.324733D+01  0.184956D+01 -0.468501D+00  0.455211D+01 -0.145139D+02
      2  -0.833826D+01 -0.180860D+01 -0.121568D+01 -0.521615D+01  0.201641D+01
      3   0.509093D+01 -0.409602D-01  0.168418D+01  0.664042D+00  0.124975D+02
      4  -0.143161D+02 -0.139273D+01 -0.106408D+00  0.211279D+01 -0.348090D+01
      5  -0.146166D+01  0.424994D+00  0.263858D+01 -0.371424D+01  0.216645D+01
      6  -0.262055D+01  0.730232D+01  0.393117D+01  0.139549D+02 -0.148392D+01
                91            92            93            94            95 
      1   0.322399D+01  0.215969D+02  0.419349D+00 -0.243250D+02  0.952222D+01
      2  -0.344878D+01 -0.135765D+02 -0.257669D+00  0.244312D+02 -0.153578D+02
      3   0.224795D+00 -0.802036D+01 -0.161680D+00 -0.106189D+00  0.583553D+01
      4   0.147790D+02 -0.538693D+01 -0.483681D+01  0.859414D+01  0.599715D+01
      5   0.280174D+01 -0.512958D+01 -0.105195D+00 -0.124391D+01  0.416164D+01
      6  -0.479735D+01  0.323303D+01 -0.528621D+01  0.319246D+01 -0.665455D+01
                96            97            98            99           100 
      1   0.813020D+00 -0.107223D+01 -0.315884D+01 -0.447446D+01 -0.129923D+02
      2  -0.459137D+01  0.406381D+01 -0.276692D+01 -0.506829D+01  0.649944D+01
      3   0.377835D+01 -0.299158D+01  0.592576D+01  0.954275D+01  0.649291D+01
      4   0.418828D+01 -0.507215D+01  0.744661D+01 -0.153813D+02  0.123633D+01
      5  -0.146669D+02  0.145109D+02 -0.156109D+02 -0.487341D+01  0.848638D+01
      6   0.784223D+01 -0.633392D+01  0.155046D+02  0.274806D+01  0.924446D-01
               101           102           103           104           105 
      1   0.185338D+01  0.636159D+01 -0.248229D+01 -0.209214D+02 -0.351972D+01
      2  -0.115528D+01 -0.332662D+01  0.204315D+01  0.199176D+02  0.601749D+01
      3  -0.698100D+00 -0.303497D+01  0.439144D+00  0.100373D+01 -0.249777D+01
      4   0.234552D+02  0.382870D-01 -0.225135D+02  0.596759D+01  0.318405D+01
      5   0.344580D-01  0.204489D+02 -0.681972D+01  0.283417D+01  0.198361D+00
      6  -0.457403D+00 -0.145875D+01  0.296794D+01  0.238433D+01 -0.718360D+01
               106           107           108           109           110 
      1   0.830427D+01 -0.409605D+01  0.133774D+02  0.283984D+01 -0.233988D+02
      2  -0.280267D+01  0.342442D+01 -0.181244D+02 -0.443880D+01  0.130394D+02
      3  -0.550161D+01  0.671629D+00  0.474698D+01  0.159896D+01  0.103594D+02
      4  -0.720806D+01 -0.107293D+01 -0.622821D+00 -0.191913D+02  0.100527D+01
      5   0.355297D+02  0.514495D-01 -0.510964D+01 -0.537765D+00  0.449407D+01
      6  -0.894818D+00  0.544660D+01 -0.262697D+01  0.327537D+01  0.229982D+01
               111           112           113           114           115 
      1  -0.337563D+01  0.247481D+02  0.689230D+01  0.107139D+01  0.515932D+01
      2  -0.171623D+00 -0.258687D+02 -0.131423D+02 -0.843811D+00 -0.558843D+01
      3   0.354725D+01  0.112062D+01  0.624998D+01 -0.227581D+00  0.429111D+00
      4   0.423937D+01  0.491098D+01 -0.140361D+02 -0.564755D+01  0.182976D+01
      5   0.433812D+01 -0.135251D+01 -0.536383D+01  0.144881D+02  0.184338D+02
      6   0.685084D+01 -0.460201D+01 -0.342060D+01  0.712257D+01  0.740357D+01
               116           117           118           119           120 
      1   0.507436D+01 -0.704536D-01  0.826057D+01  0.141408D+02 -0.124506D+00
      2  -0.617667D+01 -0.729942D+01 -0.673844D+01 -0.958749D+01  0.144901D+01
      3   0.110231D+01  0.736988D+01 -0.152214D+01 -0.455329D+01 -0.132450D+01
      4  -0.443443D+01  0.142354D+02  0.121777D+02 -0.173276D+02 -0.306352D+01
      5   0.151644D+02  0.428920D+01  0.107183D+00 -0.343814D+01 -0.471711D+01
      6   0.139849D+02 -0.124502D+01 -0.297087D+01  0.162891D+01 -0.521490D+01
               121           122           123           124           125 
      1  -0.173072D+01  0.666667D+01  0.342189D+01 -0.149819D+01  0.338155D+00
      2   0.898796D+01 -0.116802D+02 -0.432202D+01  0.275593D+01 -0.421776D+01
      3  -0.725724D+01  0.501354D+01  0.900133D+00 -0.125775D+01  0.387960D+01
      4   0.103503D+02  0.135352D+02  0.123771D+01  0.148104D+01  0.308886D+01
      5   0.137450D+01  0.100414D+01  0.103210D+01 -0.391929D-01  0.531211D+01
      6   0.293163D+01 -0.621404D+01  0.594758D+01 -0.383987D+01  0.139484D+02
               126           127           128           129           130 
      1  -0.162474D+02 -0.348103D+01 -0.630675D+01 -0.834109D-01 -0.775646D+01
      2   0.149269D+01  0.645449D+01  0.937291D+01  0.221161D+00  0.114702D+02
      3   0.147547D+02 -0.297346D+01 -0.306616D+01 -0.137750D+00 -0.371376D+01
      4   0.568001D+01  0.787276D+01  0.779839D+01  0.411803D+00  0.762833D+01
      5   0.463089D+01  0.443282D+00  0.531036D+00  0.805475D+00  0.580794D+00
      6   0.406078D+01 -0.124398D+00 -0.112521D+00  0.144622D+01  0.610345D+00
               131           132           133           134           135 
      1  -0.237984D+02 -0.140775D+01 -0.951442D+00 -0.198676D+01 -0.957137D+00
      2   0.331015D+02  0.129687D+01  0.995582D+00  0.240820D+01  0.152565D+01
      3  -0.930306D+01  0.110877D+00 -0.441407D-01 -0.421441D+00 -0.568508D+00
      4   0.634802D+01  0.214973D+00  0.440086D+00 -0.255672D+00  0.140455D+01
      5   0.873273D+00  0.934682D+00  0.570831D+00  0.771254D+00  0.450282D-01
      6   0.156372D+01  0.492843D+01  0.644963D+00  0.169375D+01  0.692329D+00
               136           137           138           139           140 
      1   0.852974D+01 -0.661038D+01 -0.920772D+00 -0.115520D+01 -0.102984D+02
      2   0.259029D+01 -0.496999D+01 -0.152385D+00 -0.111298D+02  0.328551D+02
      3  -0.111200D+02  0.115804D+02  0.107316D+01  0.122850D+02 -0.225567D+02
      4  -0.230571D+02  0.264061D+02  0.414375D+01  0.279751D+02 -0.486385D+02
      5  -0.347326D+01  0.369134D+01  0.447572D+01  0.352264D+01 -0.559411D+01
      6   0.267946D+01 -0.314130D+01 -0.288364D+01 -0.365815D+01  0.778901D+01
               141           142           143           144           145 
      1  -0.160358D+01 -0.778395D+00 -0.657499D+00 -0.749609D+00  0.101615D+03
      2   0.309740D+01 -0.124620D+01  0.371130D+01  0.203610D+01 -0.584088D+02
      3  -0.149381D+01  0.202460D+01 -0.305380D+01 -0.128649D+01 -0.432065D+02
      4  -0.652808D+01  0.536724D+01 -0.815895D+01 -0.292667D+01 -0.601842D+01
      5  -0.516140D+01  0.184914D+01 -0.198887D+01 -0.168004D+01 -0.101847D+02
      6   0.725061D+01 -0.182174D+01  0.307047D+01  0.201065D+01 -0.110945D+01
               146           147           148           149           150 
      1  -0.281770D+01 -0.729141D+01 -0.289655D+01  0.943434D+01  0.959870D+00
      2   0.134172D+01  0.498833D+01  0.130493D+01 -0.463541D+01 -0.795028D+00
      3   0.147598D+01  0.230307D+01  0.159161D+01 -0.479893D+01 -0.164842D+00
      4   0.844748D+01  0.384339D+00  0.150111D+02 -0.144789D+01 -0.124326D+01
      5   0.197996D+00  0.105511D+02  0.183650D+01 -0.111723D+01 -0.547203D+00
      6  -0.529573D+00 -0.151353D+00 -0.869192D+00 -0.554098D-01  0.149091D+01
               151           152           153           154           155 
      1  -0.909314D+01  0.108205D+01  0.355900D+01  0.157202D+02  0.108819D+02
      2   0.530467D+01 -0.713298D+00 -0.206820D+01 -0.483612D+00  0.337989D+01
      3   0.378848D+01 -0.368747D+00 -0.149080D+01 -0.152366D+02 -0.142617D+02
      4   0.220614D+01 -0.942321D+00 -0.370253D+00  0.290833D+02  0.301856D+02
      5   0.265074D+01 -0.253889D+00 -0.158145D+01  0.193849D+01  0.151773D+01
      6   0.178626D-01  0.508370D+00  0.261600D+00  0.429375D+00  0.185898D+00
               156           157           158           159           160 
      1   0.647356D+00  0.578073D+01 -0.144943D+01  0.382333D-01 -0.575815D+00
      2  -0.197659D+00  0.912098D+01  0.240370D+02  0.488292D+00  0.996181D+00
      3  -0.449697D+00 -0.149017D+02 -0.225875D+02 -0.526525D+00 -0.420367D+00
      4   0.104795D+01  0.326780D+02  0.482459D+02  0.286629D+01  0.158380D+01
      5   0.470955D+01  0.290951D+01  0.386514D+01  0.492014D+01  0.174380D+01
      6   0.282882D+01  0.159062D+01  0.246296D+01  0.584871D+01  0.146899D+01
               161           162           163           164           165 
      1  -0.926697D+00 -0.276604D+00 -0.531782D+01  0.831263D+01  0.207949D+01
      2   0.200606D+01  0.148094D+01  0.656180D+01 -0.101750D+02 -0.139938D+01
      3  -0.107937D+01 -0.120434D+01 -0.124398D+01  0.186235D+01 -0.680110D+00
      4   0.304348D+01  0.275705D+01 -0.509584D+01  0.664762D+01  0.995113D+00
      5   0.172989D+01  0.576974D+00 -0.339336D+00  0.690718D+00  0.109303D+01
      6   0.227241D+01  0.817485D+00  0.187002D+01 -0.304010D+01 -0.265712D+01
               166           167           168           169           170 
      1   0.812732D+01 -0.289327D+02 -0.483920D+01  0.146823D+01 -0.411211D+01
      2  -0.102665D+02  0.382461D+02  0.438499D+01 -0.153861D+01  0.465311D+01
      3   0.213922D+01 -0.931347D+01  0.454210D+00  0.703723D-01 -0.541005D+00
      4   0.551865D+01 -0.268330D+01 -0.229821D+00  0.956383D+00 -0.104988D+01
      5   0.398225D+00  0.524396D+00 -0.313295D+00  0.860811D+00 -0.688269D+00
      6  -0.240538D+01  0.801601D+01  0.674429D+01 -0.921914D+00  0.318866D+01
               171 
      1  -0.192133D+01
      2   0.245440D+01
      3  -0.533068D+00
      4  -0.192501D+01
      5  -0.964646D+00
      6   0.196601D+01
 Leave Link  716 at Thu Aug 12 22:00:09 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129448D+03  0.144433D+01 -0.297372D+01
      2   0.144433D+01  0.107806D+03  0.279864D+01
      3  -0.297372D+01  0.279864D+01  0.712802D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.113294D+01 -0.401819D+01 -0.663038D+01
      2   0.124953D+02 -0.668139D+01  0.208876D+01
      3   0.115901D+02  0.402567D+02  0.650582D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.937763D+02 -0.950272D+01  0.104698D+02
      2   0.439191D+02  0.245761D+02 -0.412113D+01
      3   0.498573D+02 -0.150734D+02 -0.634863D+01
      4   0.245275D+02 -0.721648D+02 -0.163752D+02
      5   0.532423D+01 -0.165499D+02  0.641073D+01
      6  -0.519978D+01 -0.313108D+01  0.143315D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.390204D+01 -0.257258D+01  0.106677D+01 -0.434554D+01  0.338783D+01
      2  -0.257258D+01  0.200989D+01 -0.902656D+00  0.338783D+01 -0.448533D+01
      3   0.106677D+01 -0.902656D+00  0.139532D+01 -0.665876D+00  0.144048D+01
                 6             7             8             9            10 
      1  -0.665876D+00 -0.264747D+00 -0.653539D+00  0.148650D+01 -0.296968D+01
      2   0.144048D+01 -0.653539D+00  0.258449D+00 -0.124881D+01  0.744934D+00
      3  -0.491210D+00  0.148650D+01 -0.124881D+01 -0.474541D+01  0.849808D+00
                11            12            13            14            15 
      1   0.744934D+00  0.849808D+00  0.138027D+01 -0.455581D+01  0.587312D-01
      2  -0.221510D+01  0.255975D+00 -0.455581D+01 -0.301476D+00 -0.774481D+00
      3   0.255975D+00 -0.977535D+00  0.587312D-01 -0.774481D+00  0.197984D+01
                16            17            18            19            20 
      1   0.267321D+01 -0.597515D-02 -0.318946D+01 -0.737575D+00  0.196713D+00
      2  -0.597515D-02 -0.766685D+00  0.309500D+01  0.196713D+00 -0.213986D+00
      3  -0.318946D+01  0.309500D+01  0.705999D+01  0.286791D+00  0.303857D+00
                21            22            23            24            25 
      1   0.286791D+00  0.480680D+00  0.805389D-01  0.703304D-01  0.175628D+01
      2   0.303857D+00  0.805389D-01 -0.463734D+00  0.570957D+00 -0.421534D+00
      3  -0.135595D+01  0.703304D-01  0.570957D+00  0.361291D+00  0.430966D+00
                26            27            28            29            30 
      1  -0.421534D+00  0.430966D+00  0.194985D+01 -0.494005D+00 -0.190556D+01
      2   0.161154D+01 -0.101009D+01 -0.494005D+00  0.683972D+00  0.381491D+00
      3  -0.101009D+01  0.656403D+01 -0.190556D+01  0.381491D+00  0.147124D+01
                31            32            33            34            35 
      1  -0.173690D+01  0.165795D+01  0.635176D+00 -0.462322D+01  0.715314D+00
      2   0.165795D+01 -0.123455D+01 -0.132576D+01  0.715314D+00 -0.157875D+01
      3   0.635176D+00 -0.132576D+01 -0.182429D+01  0.298700D+01 -0.204461D+01
                36            37            38            39            40 
      1   0.298700D+01 -0.766616D+01  0.223091D+01  0.908367D+00  0.458738D+01
      2  -0.204461D+01  0.223091D+01  0.287705D+01 -0.290094D+00  0.300631D+01
      3  -0.791730D+01  0.908367D+00 -0.290094D+00  0.158730D+01 -0.218857D+00
                41            42            43            44            45 
      1   0.300631D+01 -0.218857D+00  0.719976D+00  0.150076D+00  0.597593D+00
      2  -0.298175D+00  0.166752D+01  0.150076D+00  0.186431D+01 -0.403339D+01
      3   0.166752D+01 -0.401799D+01  0.597593D+00 -0.403339D+01 -0.388441D+01
                46            47            48            49            50 
      1   0.160505D+02 -0.192246D+01 -0.743506D+00 -0.162640D+01 -0.171196D+01
      2  -0.192246D+01  0.265886D+01 -0.354519D-01 -0.171196D+01 -0.157140D+00
      3  -0.743506D+00 -0.354519D-01  0.225841D+01 -0.398558D+00  0.177252D+00
                51            52            53            54            55 
      1  -0.398558D+00 -0.634133D+00 -0.392372D+00  0.378023D+01  0.467585D+00
      2   0.177252D+00 -0.392372D+00 -0.937590D-01 -0.379003D+00  0.137017D+00
      3  -0.491383D+00  0.378023D+01 -0.379003D+00 -0.144264D+01  0.800807D+00
                56            57            58            59            60 
      1   0.137017D+00  0.800807D+00  0.157198D+00  0.133024D+00  0.107659D+00
      2  -0.528874D+00 -0.980539D-01  0.133024D+00  0.187559D+01  0.123612D+01
      3  -0.980539D-01 -0.672345D+00  0.107659D+00  0.123612D+01  0.177561D+01
                61            62            63            64            65 
      1   0.204055D+01  0.707784D+00  0.569546D+00 -0.124172D+00  0.362323D+00
      2   0.707784D+00  0.207217D+01  0.239418D+01  0.362323D+00 -0.818702D+00
      3   0.569546D+00  0.239418D+01  0.631067D+01 -0.714717D+00  0.329999D+00
                66            67            68            69            70 
      1  -0.714717D+00  0.110256D+01  0.242567D+00 -0.527860D-01 -0.160893D+01
      2   0.329999D+00  0.242567D+00  0.518822D+01 -0.256291D+01 -0.481949D+00
      3  -0.614914D+00 -0.527860D-01 -0.256291D+01  0.260786D+01  0.738060D-01
                71            72            73            74            75 
      1  -0.481949D+00  0.738060D-01  0.126690D+02  0.410553D+00 -0.786347D+00
      2  -0.311333D+01  0.271011D+01  0.410553D+00  0.101774D+01  0.359259D-02
      3   0.271011D+01 -0.300483D+01 -0.786347D+00  0.359259D-02  0.108240D+01
                76            77            78            79            80 
      1  -0.193335D+01  0.865892D+00  0.754461D-01 -0.101920D+01 -0.605262D-01
      2   0.865892D+00 -0.388015D+00 -0.283367D+00 -0.605262D-01 -0.445851D+00
      3   0.754461D-01 -0.283367D+00  0.217816D-01  0.135522D+01  0.408099D+00
                81            82            83            84            85 
      1   0.135522D+01 -0.496732D+01 -0.102336D+01  0.238202D-01  0.779515D+01
      2   0.408099D+00 -0.102336D+01  0.319907D+01  0.612603D+00  0.163112D+00
      3  -0.638612D-01  0.238202D-01  0.612603D+00  0.191813D+01 -0.137239D+00
                86            87            88            89            90 
      1   0.163112D+00 -0.137239D+00  0.147304D+01  0.485194D-01  0.168369D+01
      2   0.164756D+01 -0.601824D+00  0.485194D-01 -0.104418D+01  0.337649D+01
      3  -0.601824D+00  0.219393D+01  0.168369D+01  0.337649D+01  0.240486D+00
                91            92            93            94            95 
      1   0.378301D+01  0.515885D-01 -0.328371D+00  0.559333D+01  0.359401D-01
      2   0.515885D-01 -0.255512D+01  0.315539D+00  0.359401D-01  0.118314D+01
      3  -0.328371D+00  0.315539D+00 -0.115897D+01  0.198518D+00 -0.666419D+00
                96            97            98            99           100 
      1   0.198518D+00 -0.738040D-01  0.673759D+00 -0.223685D+01 -0.541380D+01
      2  -0.666419D+00  0.673759D+00 -0.649251D+00  0.386855D+01 -0.287832D-01
      3   0.262017D+01 -0.223685D+01  0.386855D+01  0.173139D+01 -0.531071D+00
               101           102           103           104           105 
      1  -0.287832D-01 -0.531071D+00  0.278596D+00  0.570244D+00  0.567402D+00
      2  -0.337603D+01  0.157653D-01  0.570244D+00 -0.506327D+00 -0.278562D+00
      3   0.157653D-01 -0.327758D+01  0.567402D+00 -0.278562D+00 -0.741642D-02
               106           107           108           109           110 
      1  -0.361155D+00  0.670708D+00 -0.532626D+01  0.231966D+01 -0.223642D+00
      2   0.670708D+00  0.289124D+00  0.700835D-01 -0.223642D+00 -0.290597D+01
      3  -0.532626D+01  0.700835D-01  0.118314D+01 -0.501889D+00 -0.601522D+00
               111           112           113           114           115 
      1  -0.501889D+00 -0.541728D+01  0.606663D+00  0.579663D+00 -0.126993D+01
      2  -0.601522D+00  0.606663D+00 -0.261325D+00  0.720892D+00  0.114352D+00
      3  -0.169818D+01  0.579663D+00  0.720892D+00 -0.262096D+01 -0.283308D+01
               116           117           118           119           120 
      1   0.114352D+00 -0.283308D+01 -0.392388D+01  0.193871D+01  0.296243D+00
      2   0.116262D+01 -0.353210D+01  0.193871D+01  0.314675D+01 -0.136396D+00
      3  -0.353210D+01 -0.360745D+00  0.296243D+00 -0.136396D+00  0.145118D+01
               121           122           123           124           125 
      1  -0.672713D+01  0.616322D+00 -0.171172D+00  0.295442D-03 -0.485811D+00
      2   0.616322D+00 -0.162342D+01  0.554563D+00 -0.485811D+00  0.149381D+00
      3  -0.171172D+00  0.554563D+00 -0.199434D+01  0.930683D+00 -0.352923D+01
               126           127           128           129           130 
      1   0.930683D+00  0.295392D+01  0.231231D+01  0.441423D-01  0.242750D+01
      2  -0.352923D+01  0.231231D+01  0.235368D+01  0.449521D-01  0.283608D+01
      3  -0.163692D+01  0.441423D-01  0.449521D-01  0.142185D+00  0.153647D+00
               131           132           133           134           135 
      1   0.283608D+01  0.153647D+00 -0.113344D+00  0.155158D+00 -0.531216D-01
      2   0.669667D+01  0.389398D+00  0.155158D+00  0.570159D+00  0.119463D+00
      3   0.389398D+00  0.611744D+00 -0.531216D-01  0.119463D+00  0.608898D-01
               136           137           138           139           140 
      1  -0.292369D+01  0.302221D+01  0.542356D+00  0.266379D+01 -0.405291D+01
      2   0.302221D+01 -0.318620D+01 -0.563422D+00 -0.405291D+01  0.868753D+01
      3   0.542356D+00 -0.563422D+00 -0.487720D+00 -0.595787D+00  0.121738D+01
               141           142           143           144           145 
      1  -0.595787D+00  0.647473D+00 -0.792673D+00 -0.200861D+00 -0.133134D+02
      2   0.121738D+01 -0.792673D+00  0.141746D+01  0.227824D+00  0.412729D+00
      3   0.962142D+00 -0.200861D+00  0.227824D+00  0.212538D+00  0.113351D+01
               146           147           148           149           150 
      1   0.412729D+00  0.113351D+01  0.472554D+00 -0.160614D+01 -0.230096D+00
      2  -0.746271D+00 -0.261585D-01 -0.160614D+01  0.120482D+00  0.145028D+00
      3  -0.261585D-01 -0.980881D+00 -0.230096D+00  0.145028D+00  0.618746D-01
               151           152           153           154           155 
      1   0.122359D+01 -0.225697D+00 -0.556828D-01 -0.406714D+01 -0.365153D+01
      2  -0.225697D+00  0.764880D-01  0.161088D-01 -0.365153D+01 -0.373458D+01
      3  -0.556828D-01  0.161088D-01  0.758508D-01 -0.126500D+00 -0.841712D-01
               156           157           158           159           160 
      1  -0.126500D+00 -0.341746D+01 -0.460808D+01 -0.355803D+00 -0.152310D+00
      2  -0.841712D-01 -0.460808D+01 -0.792644D+01 -0.491705D+00 -0.235377D+00
      3  -0.493669D+00 -0.355803D+00 -0.491705D+00 -0.766964D+00 -0.769735D-01
               161           162           163           164           165 
      1  -0.235377D+00 -0.769735D-01  0.201122D+01 -0.190362D+01 -0.314657D+00
      2  -0.649517D+00 -0.194192D+00 -0.190362D+01  0.233382D+01  0.474152D+00
      3  -0.194192D+00 -0.118192D+00 -0.314657D+00  0.474152D+00  0.411578D+00
               166           167           168           169           170 
      1  -0.173495D+01  0.233244D+01  0.379601D+00 -0.413640D+00  0.519784D+00
      2   0.233244D+01 -0.775327D+01 -0.113458D+01  0.519784D+00 -0.113039D+01
      3   0.379601D+00 -0.113458D+01 -0.981690D+00  0.770494D-01 -0.314488D+00
               171 
      1   0.770494D-01
      2  -0.314488D+00
      3  -0.264657D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.132848D+01  0.100698D+01  0.323902D+01 -0.215903D+01  0.624094D+00
      2   0.892360D+00 -0.284971D+01  0.991526D+01 -0.138690D+00  0.328118D+01
      3   0.182224D+01 -0.992527D+01  0.189443D+01 -0.127787D+01  0.997664D+01
                 6             7             8             9            10 
      1  -0.660317D+01  0.183629D+00  0.143203D+01 -0.696137D+01 -0.903147D-01
      2  -0.219976D+01  0.335503D+01 -0.171902D+01 -0.107216D+02  0.182880D+01
      3  -0.259492D+01  0.130120D+01 -0.192017D+01  0.127967D+01 -0.143294D+01
                11            12            13            14            15 
      1   0.566224D+00  0.406728D-01  0.300683D+01  0.160373D+01 -0.547395D+00
      2   0.212306D+00 -0.218154D+01 -0.854308D+00 -0.391649D+01  0.367674D+01
      3   0.290819D+01  0.210804D+00  0.152986D+02  0.102566D+01  0.200523D+01
                16            17            18            19            20 
      1   0.243887D+00  0.388685D+01 -0.189605D+01  0.443570D+00 -0.399235D+00
      2  -0.120430D+02  0.529026D+01  0.110958D+02  0.297970D+01  0.251254D+00
      3   0.484810D+00  0.350981D+01 -0.771359D+01  0.117683D+01  0.104929D+01
                21            22            23            24            25 
      1  -0.217982D+01 -0.248041D+00  0.126363D+01  0.283026D+00  0.218136D+00
      2  -0.363681D+01 -0.108609D+01  0.959477D+00  0.104689D+01 -0.247597D+01
      3  -0.989906D+00  0.106582D+01  0.451754D+00 -0.692973D+00 -0.164568D+00
                26            27            28            29            30 
      1   0.820713D+00  0.996818D+01 -0.839417D-01 -0.144519D+01 -0.392053D-01
      2  -0.235393D+01  0.151687D+02 -0.218949D+01  0.609751D+00  0.309408D+01
      3  -0.246802D+01  0.319493D+01  0.685542D+00 -0.348331D+01 -0.468924D+00
                31            32            33            34            35 
      1  -0.169475D+01  0.118944D+01 -0.535870D+00  0.105887D+00  0.245171D+01
      2   0.321116D+00 -0.946771D+00 -0.322447D+01  0.103758D+01 -0.327675D+01
      3  -0.212059D+01  0.224829D+01  0.256520D+01 -0.290191D+00  0.291952D+01
                36            37            38            39            40 
      1  -0.265933D+00 -0.208898D+01 -0.531411D+00 -0.270096D+01 -0.105735D+01
      2  -0.133075D+02  0.307294D+01  0.271187D+00  0.686755D+01  0.825332D+00
      3   0.428761D+01 -0.184449D+02 -0.961083D+01  0.236189D+01 -0.205769D+01
                41            42            43            44            45 
      1  -0.413680D+01  0.319671D+01  0.809595D+00  0.754744D+01  0.449711D+01
      2   0.536751D+01 -0.109917D+02 -0.121813D+01 -0.115150D+02 -0.101391D+02
      3   0.623656D+01 -0.566533D+01  0.212436D+01 -0.529674D+01  0.147291D+02
                46            47            48            49            50 
      1   0.300377D+00  0.117303D+01  0.137243D+01  0.278892D+01 -0.182554D+01
      2  -0.177323D+01 -0.499596D+00 -0.456993D+00 -0.340584D+00 -0.472730D+00
      3   0.615588D+01  0.516027D+01 -0.110799D+00  0.144293D+02  0.643405D+00
                51            52            53            54            55 
      1   0.236096D+01  0.569826D+00  0.105550D+02  0.116888D+01 -0.796901D+00
      2  -0.557984D+00 -0.138295D+02 -0.934989D+00  0.159871D+00  0.301138D+01
      3  -0.503760D+00 -0.142579D+01 -0.243389D+01  0.485137D+00 -0.618817D+00
                56            57            58            59            60 
      1  -0.182825D+00  0.853464D+00 -0.134314D+00 -0.134165D+01 -0.408735D+01
      2  -0.204411D+00 -0.129776D+01 -0.436518D+00  0.324382D+01  0.519237D+01
      3   0.167886D+01  0.166179D+01  0.219090D+01 -0.523376D+01 -0.359682D+01
                61            62            63            64            65 
      1  -0.592339D+00 -0.761915D+00 -0.920439D+01  0.516637D+00  0.616311D-01
      2  -0.178672D+01  0.626326D+01  0.168447D+02 -0.257487D+01  0.566624D+00
      3   0.168309D+01 -0.552528D+01 -0.752831D+01 -0.323631D+01  0.268603D+01
                66            67            68            69            70 
      1   0.131326D+01  0.151980D+00  0.159117D+01 -0.491217D+01  0.440345D+00
      2  -0.142432D+01  0.777925D+00 -0.627716D+01  0.640921D+01 -0.217904D+01
      3  -0.219111D+01  0.415379D+01 -0.147303D+02  0.764657D+01 -0.218365D+01
                71            72            73            74            75 
      1  -0.138527D+01  0.400311D+01  0.354716D+00 -0.329643D+00 -0.125382D+01
      2   0.623673D+01 -0.710272D+01 -0.511655D+00  0.292917D+00  0.571952D+01
      3   0.853444D+01 -0.814569D+01  0.145253D+02 -0.580937D+01 -0.113057D+01
                76            77            78            79            80 
      1  -0.198240D+00  0.378027D+00 -0.542791D+00 -0.123586D+01  0.486236D+00
      2   0.443624D-01 -0.600087D+00 -0.192559D+00  0.247201D+01  0.108942D+01
      3  -0.304440D+01  0.241838D+01  0.101927D+01 -0.121139D+01  0.144613D+01
                81            82            83            84            85 
      1  -0.196714D+00 -0.137205D+01  0.415395D+00 -0.350701D+01  0.719966D+00
      2   0.195030D+00 -0.235952D+01  0.185075D+00 -0.207397D+01  0.229433D+01
      3  -0.240230D+00 -0.584367D+01 -0.117286D+01  0.116426D+01  0.588326D+01
                86            87            88            89            90 
      1   0.345395D+00 -0.266375D+01 -0.526735D+01  0.264026D+01  0.792706D+00
      2  -0.336461D+00 -0.484802D+00 -0.130533D+02 -0.110313D+00  0.819873D+00
      3   0.408940D+01 -0.651320D+00  0.124998D+01 -0.203741D+00  0.473439D+01
                91            92            93            94            95 
      1   0.200527D+01 -0.784275D+00  0.220559D+01  0.136643D+00  0.215358D+00
      2   0.475894D+00  0.433464D+00  0.508167D+00  0.559085D+00  0.215332D+01
      3   0.327398D+01 -0.106822D+02 -0.132717D+01  0.647359D+01  0.201525D+01
                96            97            98            99           100 
      1  -0.379116D+01  0.507857D+01  0.185387D+01 -0.959310D+00 -0.516705D-01
      2  -0.718785D+01 -0.706894D+01 -0.100205D+02 -0.213257D+01  0.214540D+00
      3  -0.143618D+01  0.327991D+00 -0.985077D+00  0.522850D+01 -0.656100D+00
               101           102           103           104           105 
      1   0.669814D+00  0.779407D+00  0.346064D+00 -0.185900D+01  0.334787D+01
      2  -0.206606D+00  0.930759D+01 -0.209958D+01  0.330128D+00  0.239718D+00
      3  -0.773351D+01  0.104823D+00  0.106329D+02 -0.323009D+01 -0.183225D+01
               106           107           108           109           110 
      1   0.121921D+01  0.111431D+02  0.142047D+01 -0.136745D+01 -0.362760D+00
      2   0.811547D+01 -0.368727D+00 -0.258669D+01  0.699633D+00  0.181384D+01
      3   0.164304D+01 -0.597983D+00 -0.740175D+00  0.108607D+01 -0.130286D+02
               111           112           113           114           115 
      1  -0.321789D+01  0.123230D+01  0.341192D+00 -0.281357D+01 -0.604978D+01
      2   0.205678D+01 -0.432455D+00 -0.189660D+01  0.674184D+01 -0.478716D+01
      3  -0.133328D+01  0.403351D+01  0.197486D+01  0.128171D+01  0.677144D+00
               116           117           118           119           120 
      1   0.317294D+01  0.116809D+01  0.586491D+00 -0.346963D+00  0.263299D+01
      2   0.972347D+01  0.193381D+01 -0.299784D+01  0.101427D+01 -0.178877D+01
      3   0.312994D+01 -0.424436D+01 -0.396714D+00 -0.209681D+01 -0.151206D+01
               121           122           123           124           125 
      1  -0.814973D+00 -0.512027D+00 -0.332416D+01  0.484620D+01  0.210719D+01
      2   0.792205D-01  0.404115D+00  0.167426D+01 -0.130751D+02  0.110970D+01
      3   0.279668D+01 -0.764206D+01  0.215668D+00 -0.286104D+01  0.498428D+00
               126           127           128           129           130 
      1  -0.124883D+01  0.212110D+00  0.297593D+00 -0.135021D+01 -0.170105D+00
      2   0.184873D+01 -0.561010D+00 -0.201177D+00  0.250636D+00 -0.167541D+00
      3  -0.532967D+01  0.914224D+01  0.467546D+01  0.436693D-01  0.847822D+01
               131           132           133           134           135 
      1  -0.314087D+00 -0.326421D+01  0.420952D+00  0.168398D+01 -0.126109D+00
      2  -0.480102D+00  0.939380D+00 -0.183284D+01 -0.465169D+00 -0.993756D-03
      3   0.700644D+01  0.474678D+00 -0.226638D+00  0.299243D+00  0.122007D+00
               136           137           138           139           140 
      1  -0.249251D+00  0.185473D+00  0.196912D+01  0.156353D+00  0.138753D+00
      2  -0.523543D+00  0.766490D+00  0.195420D+01  0.554726D+00 -0.202392D+01
      3   0.848461D+00 -0.306825D+01 -0.433156D+00 -0.187390D+01  0.132252D+02
               141           142           143           144           145 
      1  -0.410163D+01 -0.513568D+00  0.196190D+01 -0.385623D+00 -0.132671D+00
      2  -0.315808D+01 -0.589669D+00  0.413638D+00 -0.489657D+00 -0.171983D+01
      3   0.171697D+01 -0.492869D+00  0.168854D+01  0.984381D-01 -0.348084D+00
               146           147           148           149           150 
      1  -0.341846D+00  0.248101D+00 -0.180105D+00 -0.183996D-01 -0.316867D+00
      2  -0.292522D-01  0.628346D+01  0.876958D+00 -0.294556D+00 -0.379226D+00
      3  -0.521757D+01  0.115346D+00 -0.398912D+01  0.325478D+00  0.377468D+00
               151           152           153           154           155 
      1  -0.108356D+00  0.628704D+00  0.293842D-01  0.252822D+00  0.528405D+00
      2  -0.310338D+01 -0.723504D-02 -0.313414D+00 -0.435139D+00 -0.417754D+00
      3  -0.840760D+00  0.526666D+00  0.175216D+00 -0.136093D+01 -0.460058D+01
               156           157           158           159           160 
      1  -0.212891D+01 -0.987497D-01  0.147440D+00 -0.365244D+01  0.649659D+00
      2   0.233318D+01  0.242332D+00  0.438729D+00  0.308130D+01 -0.809146D+00
      3   0.890434D-03 -0.308861D+01 -0.125041D+02 -0.527689D+00 -0.530493D+00
               161           162           163           164           165 
      1   0.146737D+01 -0.215758D+00  0.232761D+00 -0.180409D+00  0.172378D+01
      2  -0.400231D+00  0.331803D+00  0.981069D+00 -0.610501D+00  0.214400D+00
      3  -0.145787D+01 -0.275540D+00 -0.709829D+01  0.437477D+01  0.536134D+00
               166           167           168           169           170 
      1  -0.293582D+00  0.771103D+00 -0.367668D+01 -0.298452D+00  0.220407D+01
      2  -0.101962D+01  0.106660D+01 -0.625282D+00 -0.186842D+01  0.326103D+00
      3   0.675590D+01 -0.757775D+01 -0.129688D+01  0.735782D+00 -0.166395D+01
               171 
      1  -0.184892D+00
      2  -0.108714D+00
      3  -0.117448D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.178370D+02 -0.291450D+01 -0.665443D+00 -0.448857D+01 -0.194535D+01
      2  -0.735983D+01 -0.280481D+01 -0.279752D+01 -0.193563D+01  0.142863D+02
      3  -0.104772D+02  0.571931D+01  0.346296D+01  0.642420D+01 -0.123410D+02
      4  -0.171495D+02  0.212554D+02 -0.374007D+01  0.264342D+02 -0.267366D+02
      5   0.711437D+01 -0.427084D+01  0.144352D+02 -0.551426D+01  0.733722D+01
      6  -0.308557D+01  0.295495D+01 -0.538912D+01  0.476710D+01 -0.728915D+01
                 6             7             8             9            10 
      1   0.319760D+01  0.358648D+00  0.104538D+00  0.997745D+01  0.111227D+02
      2  -0.289941D+00  0.557080D+00 -0.241846D+01  0.169438D+01 -0.702092D+01
      3  -0.290766D+01 -0.915728D+00  0.231392D+01 -0.116718D+02 -0.410174D+01
      4   0.759954D+01 -0.538807D+01  0.470688D+01 -0.102242D+02  0.385654D+01
      5  -0.455236D+01  0.137677D+02 -0.751205D+01 -0.147454D+02  0.348466D+01
      6   0.945164D+01 -0.584268D+01  0.619501D+01  0.616226D+01 -0.220076D+01
                11            12            13            14            15 
      1  -0.237907D+01  0.223766D+00 -0.854391D+01 -0.854256D+01  0.779506D+00
      2  -0.124833D+01 -0.175359D+01  0.425784D+00 -0.701725D+00  0.207617D+01
      3   0.362739D+01  0.152983D+01  0.811813D+01  0.924428D+01 -0.285568D+01
      4  -0.207156D+02  0.209950D+00 -0.307853D+02 -0.226317D+01 -0.453526D+01
      5   0.428776D+00 -0.114834D+02  0.239908D+01 -0.382487D+01  0.915632D+01
      6  -0.164944D+01  0.108108D+01 -0.192055D+01  0.177220D+01 -0.593777D+01
                16            17            18            19            20 
      1  -0.853635D+01  0.181980D+01  0.432459D+00 -0.121729D+01 -0.181045D+01
      2  -0.651304D+01  0.591110D+01  0.117530D+02 -0.445373D+00  0.118460D+01
      3   0.150494D+02 -0.773090D+01 -0.121854D+02  0.166266D+01  0.625855D+00
      4   0.295946D+01 -0.745428D+01  0.165659D+02  0.392766D+00 -0.191390D+01
      5  -0.170831D+02  0.152480D+02  0.282470D+02  0.149615D+01  0.361747D+00
      6   0.797646D+01 -0.258221D+00 -0.601812D+01 -0.355533D+00 -0.139618D+01
                21            22            23            24            25 
      1   0.567981D+01 -0.303806D-01 -0.264263D+01 -0.262237D-01  0.524684D+01
      2  -0.312528D+00 -0.565691D+00  0.187229D+01 -0.256120D+01 -0.237248D+01
      3  -0.536728D+01  0.596072D+00  0.770334D+00  0.258743D+01 -0.287436D+01
      4  -0.770282D+00  0.719603D+00 -0.809875D+00  0.188227D+01 -0.418679D+01
      5  -0.387836D+01  0.177699D+00  0.146924D+01  0.175768D+01  0.447620D+01
      6   0.301633D+01  0.367895D+00 -0.136577D+01  0.253698D+01 -0.564208D+00
                26            27            28            29            30 
      1   0.204623D+01 -0.134224D+02  0.487177D+01 -0.800699D+00 -0.436455D+01
      2  -0.119987D+01 -0.806453D+01 -0.652096D+01  0.136043D+01  0.509558D+01
      3  -0.846359D+00  0.214870D+02  0.164919D+01 -0.559731D+00 -0.731032D+00
      4   0.546861D+01 -0.184391D+01 -0.320249D+01  0.704132D+01  0.295808D+01
      5  -0.377477D+01  0.232661D+02 -0.105072D+02  0.288523D+01  0.129528D+02
      6   0.430658D+01 -0.131206D+02  0.278708D+01 -0.488310D+00 -0.152181D+01
                31            32            33            34            35 
      1  -0.742620D-01 -0.243577D+01 -0.288294D+01 -0.295309D+01 -0.352055D+01
      2   0.169081D+01 -0.495808D+00 -0.986633D+00  0.973156D+01 -0.232204D+01
      3  -0.161654D+01  0.293158D+01  0.386957D+01 -0.677847D+01  0.584259D+01
      4   0.993160D+01 -0.590311D+01 -0.614927D+01  0.405552D+01 -0.722514D+01
      5   0.401446D+01 -0.555863D+01 -0.798672D+01  0.189380D+02 -0.879642D+01
      6  -0.227375D+01  0.440806D+01  0.894233D+01 -0.483582D+01  0.590826D+01
                36            37            38            39            40 
      1  -0.106878D+02 -0.560367D+02  0.134428D+01  0.690369D+01  0.158459D+02
      2  -0.163743D+02  0.350581D+02  0.528466D+01 -0.462689D+01 -0.330205D+01
      3   0.270621D+02  0.209786D+02 -0.662894D+01 -0.227680D+01 -0.125439D+02
      4  -0.100862D+02  0.378206D+01  0.192654D+02 -0.857573D-02  0.216311D+02
      5  -0.335133D+02  0.785851D+01 -0.130599D+01  0.926231D+01 -0.138185D+01
      6   0.104452D+02  0.293046D+01 -0.122020D+01  0.624191D+01 -0.555271D+00
                41            42            43            44            45 
      1   0.184731D+02 -0.512668D+01  0.789842D+01 -0.377090D+01  0.177270D+02
      2  -0.786284D+01  0.680138D+01 -0.262213D+01  0.660992D+01 -0.125968D+02
      3  -0.106103D+02 -0.167470D+01 -0.527628D+01 -0.283902D+01 -0.513014D+01
      4   0.501567D+01  0.766095D+01  0.223485D+01  0.878507D+01 -0.167897D+02
      5   0.780053D+01 -0.188418D+02  0.333370D+01 -0.193081D+02 -0.195003D+02
      6   0.831779D+01 -0.121567D+02  0.639987D+00 -0.141441D+02 -0.704089D+01
                46            47            48            49            50 
      1  -0.225042D+02 -0.367897D+00 -0.639040D+00  0.398222D+01 -0.735913D+01
      2   0.830378D+01  0.600165D+00 -0.501294D+00  0.291590D+00  0.141415D+02
      3   0.142004D+02 -0.232268D+00  0.114033D+01 -0.427381D+01 -0.678238D+01
      4  -0.824770D+01  0.573381D+01  0.141423D+00 -0.119295D+02  0.315616D+01
      5  -0.261965D+01  0.141886D+00  0.212035D+01 -0.192278D+01  0.774440D+00
      6  -0.770631D-01 -0.617755D+00 -0.143743D+01  0.126797D+01  0.211535D+01
                51            52            53            54            55 
      1  -0.150547D+00  0.420354D+01  0.623760D-01 -0.100330D+02  0.406646D+01
      2   0.261185D+01 -0.138382D+01  0.770694D+00 -0.385281D+01 -0.303501D+01
      3  -0.246130D+01 -0.281972D+01 -0.833070D+00  0.138858D+02 -0.103145D+01
      4   0.111355D+01 -0.108214D+01  0.222561D+01 -0.155084D+01  0.951778D+00
      5  -0.173729D+01  0.442697D+01 -0.176213D+01 -0.344447D+00  0.298477D+01
      6  -0.451318D+01  0.132542D+00  0.455181D+01 -0.131999D+01  0.273258D+01
                56            57            58            59            60 
      1   0.236280D+01  0.477666D+01  0.142021D+01 -0.724766D+01 -0.451886D+01
      2  -0.219889D+01 -0.156979D+01 -0.106808D+00  0.750797D+01  0.445852D+01
      3  -0.163902D+00 -0.320687D+01 -0.131340D+01 -0.260309D+00  0.603417D-01
      4  -0.117200D+01  0.193086D+01  0.301039D+01  0.865027D+01  0.565306D+01
      5   0.589467D+00 -0.179618D+00  0.133193D+01  0.586842D+01  0.925494D+01
      6  -0.516675D+00 -0.178434D+01  0.732412D+00  0.609030D+01  0.109556D+02
                61            62            63            64            65 
      1   0.766420D+01 -0.413155D+01 -0.132461D+02  0.704924D+00  0.497448D+01
      2  -0.403783D+01  0.416598D+01  0.173835D+00  0.298715D+00 -0.442806D+01
      3  -0.362637D+01 -0.344329D-01  0.130723D+02 -0.100364D+01 -0.546411D+00
      4   0.764018D+01  0.103684D+02  0.103731D+02  0.433499D+00 -0.756321D+00
      5   0.670971D+01  0.120003D+02  0.305695D+02 -0.260551D+01  0.862866D-01
      6   0.168608D+01  0.114226D+02  0.196183D+02 -0.297371D+01  0.204369D+01
                66            67            68            69            70 
      1  -0.528940D+01  0.450989D+01 -0.163449D+02  0.890883D+01 -0.614809D+01
      2   0.272913D+01 -0.201564D+01  0.226956D+02 -0.995090D+01  0.268402D+01
      3   0.256027D+01 -0.249425D+01 -0.635069D+01  0.104207D+01  0.346407D+01
      4  -0.124499D+01  0.622655D+01  0.231406D+02 -0.112981D+02 -0.622440D+01
      5  -0.106846D+01 -0.171234D+01 -0.117895D+02  0.124083D+02  0.340121D+01
      6  -0.297994D+01 -0.823452D+00 -0.138454D+02  0.129892D+02  0.627496D+00
                71            72            73            74            75 
      1   0.889484D+01 -0.124128D+02  0.894774D+02  0.859906D+00 -0.537095D+01
      2  -0.940724D+01  0.592360D+01 -0.483047D+02  0.171656D+01  0.359134D+01
      3   0.512397D+00  0.648921D+01 -0.411727D+02 -0.257647D+01  0.177961D+01
      4  -0.142472D+02  0.112763D+02  0.181187D+02  0.107095D+02 -0.102831D+01
      5   0.126873D+02 -0.129322D+02 -0.804130D+01 -0.849220D-01  0.108817D+02
      6   0.137321D+02 -0.133964D+02 -0.191511D+01 -0.260255D+00  0.240740D+01
                76            77            78            79            80 
      1  -0.127012D+02  0.581189D+01  0.116985D+01 -0.624575D+01  0.520741D+00
      2   0.885756D+01 -0.270584D+01 -0.135194D+01  0.421453D+01 -0.108815D+01
      3   0.384369D+01 -0.310604D+01  0.182091D+00  0.203122D+01  0.567404D+00
      4   0.775339D+01 -0.177757D+01 -0.155036D+01 -0.148642D+01 -0.240547D+01
      5   0.880671D+00 -0.180281D+01 -0.768582D+00  0.127281D+02  0.188910D+01
      6  -0.194157D+00 -0.655597D+00  0.171808D+01  0.197019D+01  0.251856D+01
                81            82            83            84            85 
      1   0.641964D+01  0.587627D+01 -0.169950D+02 -0.293157D+01  0.807332D+00
      2  -0.462228D+01 -0.585981D+01  0.119011D+02  0.974884D+00 -0.115076D+02
      3  -0.179736D+01 -0.164602D-01  0.509384D+01  0.195669D+01  0.107003D+02
      4   0.290927D+01 -0.927769D+01 -0.128731D+02  0.990279D+00  0.630254D+01
      5  -0.152004D+01 -0.138063D+01  0.137737D+01 -0.336187D+01  0.521353D+00
      6   0.267866D+00  0.281304D+01  0.108342D+01  0.689201D+01 -0.410020D+01
                86            87            88            89            90 
      1   0.324733D+01  0.184956D+01 -0.468501D+00  0.455211D+01 -0.145139D+02
      2  -0.833826D+01 -0.180860D+01 -0.121568D+01 -0.521615D+01  0.201641D+01
      3   0.509093D+01 -0.409602D-01  0.168418D+01  0.664042D+00  0.124975D+02
      4  -0.143161D+02 -0.139273D+01 -0.106408D+00  0.211279D+01 -0.348090D+01
      5  -0.146166D+01  0.424994D+00  0.263858D+01 -0.371424D+01  0.216645D+01
      6  -0.262055D+01  0.730232D+01  0.393117D+01  0.139549D+02 -0.148392D+01
                91            92            93            94            95 
      1   0.322399D+01  0.215969D+02  0.419349D+00 -0.243250D+02  0.952222D+01
      2  -0.344878D+01 -0.135765D+02 -0.257669D+00  0.244312D+02 -0.153578D+02
      3   0.224795D+00 -0.802036D+01 -0.161680D+00 -0.106189D+00  0.583553D+01
      4   0.147790D+02 -0.538693D+01 -0.483681D+01  0.859414D+01  0.599715D+01
      5   0.280174D+01 -0.512958D+01 -0.105195D+00 -0.124391D+01  0.416164D+01
      6  -0.479735D+01  0.323303D+01 -0.528621D+01  0.319246D+01 -0.665455D+01
                96            97            98            99           100 
      1   0.813020D+00 -0.107223D+01 -0.315884D+01 -0.447446D+01 -0.129923D+02
      2  -0.459137D+01  0.406381D+01 -0.276692D+01 -0.506829D+01  0.649944D+01
      3   0.377835D+01 -0.299158D+01  0.592576D+01  0.954275D+01  0.649291D+01
      4   0.418828D+01 -0.507215D+01  0.744661D+01 -0.153813D+02  0.123633D+01
      5  -0.146669D+02  0.145109D+02 -0.156109D+02 -0.487341D+01  0.848638D+01
      6   0.784223D+01 -0.633392D+01  0.155046D+02  0.274806D+01  0.924446D-01
               101           102           103           104           105 
      1   0.185338D+01  0.636159D+01 -0.248229D+01 -0.209214D+02 -0.351972D+01
      2  -0.115528D+01 -0.332662D+01  0.204315D+01  0.199176D+02  0.601749D+01
      3  -0.698100D+00 -0.303497D+01  0.439144D+00  0.100373D+01 -0.249777D+01
      4   0.234552D+02  0.382870D-01 -0.225135D+02  0.596759D+01  0.318405D+01
      5   0.344580D-01  0.204489D+02 -0.681972D+01  0.283417D+01  0.198361D+00
      6  -0.457403D+00 -0.145875D+01  0.296794D+01  0.238433D+01 -0.718360D+01
               106           107           108           109           110 
      1   0.830427D+01 -0.409605D+01  0.133774D+02  0.283984D+01 -0.233988D+02
      2  -0.280267D+01  0.342442D+01 -0.181244D+02 -0.443880D+01  0.130394D+02
      3  -0.550161D+01  0.671629D+00  0.474698D+01  0.159896D+01  0.103594D+02
      4  -0.720806D+01 -0.107293D+01 -0.622821D+00 -0.191913D+02  0.100527D+01
      5   0.355297D+02  0.514495D-01 -0.510964D+01 -0.537765D+00  0.449407D+01
      6  -0.894818D+00  0.544660D+01 -0.262697D+01  0.327537D+01  0.229982D+01
               111           112           113           114           115 
      1  -0.337563D+01  0.247481D+02  0.689230D+01  0.107139D+01  0.515932D+01
      2  -0.171623D+00 -0.258687D+02 -0.131423D+02 -0.843811D+00 -0.558843D+01
      3   0.354725D+01  0.112062D+01  0.624998D+01 -0.227581D+00  0.429111D+00
      4   0.423937D+01  0.491098D+01 -0.140361D+02 -0.564755D+01  0.182976D+01
      5   0.433812D+01 -0.135251D+01 -0.536383D+01  0.144881D+02  0.184338D+02
      6   0.685084D+01 -0.460201D+01 -0.342060D+01  0.712257D+01  0.740357D+01
               116           117           118           119           120 
      1   0.507436D+01 -0.704536D-01  0.826057D+01  0.141408D+02 -0.124506D+00
      2  -0.617667D+01 -0.729942D+01 -0.673844D+01 -0.958749D+01  0.144901D+01
      3   0.110231D+01  0.736988D+01 -0.152214D+01 -0.455329D+01 -0.132450D+01
      4  -0.443443D+01  0.142354D+02  0.121777D+02 -0.173276D+02 -0.306352D+01
      5   0.151644D+02  0.428920D+01  0.107183D+00 -0.343814D+01 -0.471711D+01
      6   0.139849D+02 -0.124502D+01 -0.297087D+01  0.162891D+01 -0.521490D+01
               121           122           123           124           125 
      1  -0.173072D+01  0.666667D+01  0.342189D+01 -0.149819D+01  0.338155D+00
      2   0.898796D+01 -0.116802D+02 -0.432202D+01  0.275593D+01 -0.421776D+01
      3  -0.725724D+01  0.501354D+01  0.900133D+00 -0.125775D+01  0.387960D+01
      4   0.103503D+02  0.135352D+02  0.123771D+01  0.148104D+01  0.308886D+01
      5   0.137450D+01  0.100414D+01  0.103210D+01 -0.391929D-01  0.531211D+01
      6   0.293163D+01 -0.621404D+01  0.594758D+01 -0.383987D+01  0.139484D+02
               126           127           128           129           130 
      1  -0.162474D+02 -0.348103D+01 -0.630675D+01 -0.834109D-01 -0.775646D+01
      2   0.149269D+01  0.645449D+01  0.937291D+01  0.221161D+00  0.114702D+02
      3   0.147547D+02 -0.297346D+01 -0.306616D+01 -0.137750D+00 -0.371376D+01
      4   0.568001D+01  0.787276D+01  0.779839D+01  0.411803D+00  0.762833D+01
      5   0.463089D+01  0.443282D+00  0.531036D+00  0.805475D+00  0.580794D+00
      6   0.406078D+01 -0.124398D+00 -0.112521D+00  0.144622D+01  0.610345D+00
               131           132           133           134           135 
      1  -0.237984D+02 -0.140775D+01 -0.951442D+00 -0.198676D+01 -0.957137D+00
      2   0.331015D+02  0.129687D+01  0.995582D+00  0.240820D+01  0.152565D+01
      3  -0.930306D+01  0.110877D+00 -0.441407D-01 -0.421441D+00 -0.568508D+00
      4   0.634802D+01  0.214973D+00  0.440086D+00 -0.255672D+00  0.140455D+01
      5   0.873273D+00  0.934682D+00  0.570831D+00  0.771254D+00  0.450282D-01
      6   0.156372D+01  0.492843D+01  0.644963D+00  0.169375D+01  0.692329D+00
               136           137           138           139           140 
      1   0.852974D+01 -0.661038D+01 -0.920772D+00 -0.115520D+01 -0.102984D+02
      2   0.259029D+01 -0.496999D+01 -0.152385D+00 -0.111298D+02  0.328551D+02
      3  -0.111200D+02  0.115804D+02  0.107316D+01  0.122850D+02 -0.225567D+02
      4  -0.230571D+02  0.264061D+02  0.414375D+01  0.279751D+02 -0.486385D+02
      5  -0.347326D+01  0.369134D+01  0.447572D+01  0.352264D+01 -0.559411D+01
      6   0.267946D+01 -0.314130D+01 -0.288364D+01 -0.365815D+01  0.778901D+01
               141           142           143           144           145 
      1  -0.160358D+01 -0.778395D+00 -0.657499D+00 -0.749609D+00  0.101615D+03
      2   0.309740D+01 -0.124620D+01  0.371130D+01  0.203610D+01 -0.584088D+02
      3  -0.149381D+01  0.202460D+01 -0.305380D+01 -0.128649D+01 -0.432065D+02
      4  -0.652808D+01  0.536724D+01 -0.815895D+01 -0.292667D+01 -0.601842D+01
      5  -0.516140D+01  0.184914D+01 -0.198887D+01 -0.168004D+01 -0.101847D+02
      6   0.725061D+01 -0.182174D+01  0.307047D+01  0.201065D+01 -0.110945D+01
               146           147           148           149           150 
      1  -0.281770D+01 -0.729141D+01 -0.289655D+01  0.943434D+01  0.959870D+00
      2   0.134172D+01  0.498833D+01  0.130493D+01 -0.463541D+01 -0.795028D+00
      3   0.147598D+01  0.230307D+01  0.159161D+01 -0.479893D+01 -0.164842D+00
      4   0.844748D+01  0.384339D+00  0.150111D+02 -0.144789D+01 -0.124326D+01
      5   0.197996D+00  0.105511D+02  0.183650D+01 -0.111723D+01 -0.547203D+00
      6  -0.529573D+00 -0.151353D+00 -0.869192D+00 -0.554098D-01  0.149091D+01
               151           152           153           154           155 
      1  -0.909314D+01  0.108205D+01  0.355900D+01  0.157202D+02  0.108819D+02
      2   0.530467D+01 -0.713298D+00 -0.206820D+01 -0.483612D+00  0.337989D+01
      3   0.378848D+01 -0.368747D+00 -0.149080D+01 -0.152366D+02 -0.142617D+02
      4   0.220614D+01 -0.942321D+00 -0.370253D+00  0.290833D+02  0.301856D+02
      5   0.265074D+01 -0.253889D+00 -0.158145D+01  0.193849D+01  0.151773D+01
      6   0.178626D-01  0.508370D+00  0.261600D+00  0.429375D+00  0.185898D+00
               156           157           158           159           160 
      1   0.647356D+00  0.578073D+01 -0.144943D+01  0.382333D-01 -0.575815D+00
      2  -0.197659D+00  0.912098D+01  0.240370D+02  0.488292D+00  0.996181D+00
      3  -0.449697D+00 -0.149017D+02 -0.225875D+02 -0.526525D+00 -0.420367D+00
      4   0.104795D+01  0.326780D+02  0.482459D+02  0.286629D+01  0.158380D+01
      5   0.470955D+01  0.290951D+01  0.386514D+01  0.492014D+01  0.174380D+01
      6   0.282882D+01  0.159062D+01  0.246296D+01  0.584871D+01  0.146899D+01
               161           162           163           164           165 
      1  -0.926697D+00 -0.276604D+00 -0.531782D+01  0.831263D+01  0.207949D+01
      2   0.200606D+01  0.148094D+01  0.656180D+01 -0.101750D+02 -0.139938D+01
      3  -0.107937D+01 -0.120434D+01 -0.124398D+01  0.186235D+01 -0.680110D+00
      4   0.304348D+01  0.275705D+01 -0.509584D+01  0.664762D+01  0.995113D+00
      5   0.172989D+01  0.576974D+00 -0.339336D+00  0.690718D+00  0.109303D+01
      6   0.227241D+01  0.817485D+00  0.187002D+01 -0.304010D+01 -0.265712D+01
               166           167           168           169           170 
      1   0.812732D+01 -0.289327D+02 -0.483920D+01  0.146823D+01 -0.411211D+01
      2  -0.102665D+02  0.382461D+02  0.438499D+01 -0.153861D+01  0.465311D+01
      3   0.213922D+01 -0.931347D+01  0.454210D+00  0.703723D-01 -0.541005D+00
      4   0.551865D+01 -0.268330D+01 -0.229821D+00  0.956383D+00 -0.104988D+01
      5   0.398225D+00  0.524396D+00 -0.313295D+00  0.860811D+00 -0.688269D+00
      6  -0.240538D+01  0.801601D+01  0.674429D+01 -0.921914D+00  0.318866D+01
               171 
      1  -0.192133D+01
      2   0.245440D+01
      3  -0.533068D+00
      4  -0.192501D+01
      5  -0.964646D+00
      6   0.196601D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.564733D+00      0.143541D+01      0.478801D+01
   x         -0.294882D+00     -0.749515D+00     -0.250011D+01
   y          0.452113D+00      0.114916D+01      0.383318D+01
   z          0.166018D+00      0.421975D+00      0.140756D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947761D+02      0.140444D+02      0.156265D+02
   aniso      0.500859D+02      0.742196D+01      0.825805D+01
   xx         0.120305D+03      0.178273D+02      0.198356D+02
   yx         0.144257D+01      0.213768D+00      0.237848D+00
   yy         0.100120D+03      0.148362D+02      0.165075D+02
   zx        -0.312062D+01     -0.462429D+00     -0.514521D+00
   zy         0.277415D+01      0.411086D+00      0.457395D+00
   zz         0.639037D+02      0.946955D+01      0.105363D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102844D+03      0.152400D+02      0.169568D+02
   aniso      0.514709D+02      0.762720D+01      0.848640D+01
   xx         0.129448D+03      0.191822D+02      0.213430D+02
   yx         0.144433D+01      0.214028D+00      0.238138D+00
   yy         0.107806D+03      0.159751D+02      0.177747D+02
   zx        -0.297372D+01     -0.440660D+00     -0.490301D+00
   zy         0.279864D+01      0.414716D+00      0.461434D+00
   zz         0.712802D+02      0.105626D+02      0.117525D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8          2.91630733         -0.54809632         -3.75648775
     6          2.03584781          1.37546607         -2.06379319
     1          3.48471282         -1.96037188         -2.75312639
     1          1.12312838          2.74113870         -3.31901559
     6          4.25077228          2.67799289         -0.77245184
     6          0.03477746          0.32698751         -0.29086232
     1          5.21797949          1.39477620          0.52446011
     1          3.64220597          4.33616565          0.29163633
     1          5.59685222          3.28687707         -2.20588407
     6          0.02233634          0.79733187          2.29921841
     6         -1.86192073         -0.20086528          3.83961783
     6         -3.76341492         -1.68288336          2.80933192
     6         -3.77180702         -2.16364185          0.22373567
     6         -1.89302783         -1.16613933         -1.30662714
     1          1.48516440          1.94665457          3.14284151
     1         -1.83517165          0.18321237          5.84889601
     1         -5.22840408         -2.45955908          4.00686284
     1         -5.24927065         -3.31489933         -0.59936625
     1         -1.88903025         -1.55472256         -3.31441121

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.564733D+00      0.143541D+01      0.478801D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.564733D+00      0.143541D+01      0.478801D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947761D+02      0.140444D+02      0.156265D+02
   aniso      0.500859D+02      0.742196D+01      0.825805D+01
   xx         0.101919D+03      0.151029D+02      0.168043D+02
   yx         0.224706D+02      0.332980D+01      0.370490D+01
   yy         0.788575D+02      0.116855D+02      0.130018D+02
   zx        -0.116601D+02     -0.172784D+01     -0.192248D+01
   zy         0.214415D+01      0.317730D+00      0.353522D+00
   zz         0.103551D+03      0.153447D+02      0.170733D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102844D+03      0.152400D+02      0.169568D+02
   aniso      0.514709D+02      0.762720D+01      0.848640D+01
   xx         0.110559D+03      0.163832D+02      0.182287D+02
   yx         0.229044D+02      0.339409D+01      0.377643D+01
   yy         0.864019D+02      0.128034D+02      0.142457D+02
   zx        -0.123007D+02     -0.182278D+01     -0.202811D+01
   zy         0.203441D+01      0.301469D+00      0.335430D+00
   zz         0.111573D+03      0.165333D+02      0.183958D+02

 ----------------------------------------------------------------------
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 GOOD SENSE ABOUT TRIVIALITIES IS BETTER THAN NONSENSE
 ABOUT THINGS THAT MATTER

                                       -- MAX BEERBOHM
 Job cpu time:       0 days  7 hours  5 minutes 29.1 seconds.
 Elapsed time:       0 days  0 hours 53 minutes 14.0 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:00:10 2021.
